USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 901 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 LYS NZ :NH3+ 169:sc= 0 (180deg=0) USER MOD Set 1.2: A 111 LYS NZ :NH3+ 170:sc= -1.18 (180deg=-1.57) USER MOD Set 2.1: A 41 GLN : amide:sc= -1.98 K(o=-7,f=-6.5!) USER MOD Set 2.2: A 42 THR OG1 : rot 180:sc= -1.31 USER MOD Set 2.3: A 45 GLN : amide:sc= -3.7! C(o=-7!,f=-6.5!) USER MOD Single : A 8 GLN : amide:sc= -2.44! C(o=-2.4!,f=-3.8!) USER MOD Single : A 10 SER OG : rot -170:sc= -1.53 USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= -0.0058 (180deg=-0.249) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 94:sc= 1.26 USER MOD Single : A 25 CYS SG : rot 59:sc= -3.83! USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.224) USER MOD Single : A 29 TYR OH : rot -126:sc= 0.525 USER MOD Single : A 30 THR OG1 : rot -53:sc= 0.839 USER MOD Single : A 37 HIS : no HE2:sc= -7.68! C(o=-7.7!,f=-8.6!) USER MOD Single : A 46 ASN : amide:sc= -2.56 K(o=-2.6,f=-3.3) USER MOD Single : A 48 CYS SG : rot -160:sc= -1.16 USER MOD Single : A 53 SER OG : rot -169:sc= -2.54 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0957 K(o=-0.096,f=-2.1!) USER MOD Single : A 65 SER OG : rot 180:sc= -0.872 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 30:sc= -0.186 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.305) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -131:sc=-0.00838 (180deg=-2.18) USER MOD Single : A 104 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.5!) USER MOD Single : A 107 CYS SG : rot 180:sc= -0.906 USER MOD Single : A 117 HIS : no HD1:sc= -6.55! C(o=-6.6!,f=-8!) USER MOD Single : A 122 MET CE :methyl 134:sc= -3.92! (180deg=-6.65!) USER MOD Single : A 124 CYS SG : rot 180:sc= -1.81 USER MOD ----------------------------------------------------------------- ATOM 58 N VAL A 4 1.857 3.321 -18.992 1.00 0.00 N ATOM 59 CA VAL A 4 2.687 4.385 -18.445 1.00 0.00 C ATOM 60 C VAL A 4 2.660 5.624 -19.336 1.00 0.00 C ATOM 61 O VAL A 4 2.926 5.548 -20.535 1.00 0.00 O ATOM 62 CB VAL A 4 4.149 3.927 -18.267 1.00 0.00 C ATOM 63 CG1 VAL A 4 4.370 3.377 -16.867 1.00 0.00 C ATOM 64 CG2 VAL A 4 4.528 2.893 -19.319 1.00 0.00 C ATOM 0 HA VAL A 4 2.271 4.635 -17.469 1.00 0.00 H new ATOM 0 HB VAL A 4 4.795 4.795 -18.401 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.407 3.059 -16.761 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.151 4.152 -16.133 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.711 2.525 -16.703 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.564 2.587 -19.171 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.876 2.024 -19.227 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.416 3.327 -20.313 1.00 0.00 H new ATOM 74 N VAL A 5 2.340 6.763 -18.734 1.00 0.00 N ATOM 75 CA VAL A 5 2.278 8.029 -19.456 1.00 0.00 C ATOM 76 C VAL A 5 3.660 8.667 -19.564 1.00 0.00 C ATOM 77 O VAL A 5 4.511 8.465 -18.697 1.00 0.00 O ATOM 78 CB VAL A 5 1.322 9.022 -18.768 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.122 8.573 -18.930 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.680 9.175 -17.297 1.00 0.00 C ATOM 0 H VAL A 5 2.118 6.836 -17.741 1.00 0.00 H new ATOM 0 HA VAL A 5 1.902 7.806 -20.455 1.00 0.00 H new ATOM 0 HB VAL A 5 1.431 9.995 -19.247 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.782 9.287 -18.438 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -0.370 8.521 -19.990 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.250 7.589 -18.479 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.994 9.880 -16.827 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.602 8.208 -16.801 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.701 9.547 -17.208 1.00 0.00 H new ATOM 90 N PRO A 6 3.905 9.448 -20.636 1.00 0.00 N ATOM 91 CA PRO A 6 5.187 10.120 -20.861 1.00 0.00 C ATOM 92 C PRO A 6 5.835 10.608 -19.567 1.00 0.00 C ATOM 93 O PRO A 6 7.027 10.401 -19.344 1.00 0.00 O ATOM 94 CB PRO A 6 4.787 11.297 -21.745 1.00 0.00 C ATOM 95 CG PRO A 6 3.649 10.779 -22.560 1.00 0.00 C ATOM 96 CD PRO A 6 2.942 9.744 -21.715 1.00 0.00 C ATOM 0 HA PRO A 6 5.933 9.459 -21.302 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.488 12.159 -21.148 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.615 11.618 -22.377 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.969 11.586 -22.832 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.008 10.339 -23.490 1.00 0.00 H new ATOM 0 HD2 PRO A 6 2.002 10.127 -21.318 1.00 0.00 H new ATOM 0 HD3 PRO A 6 2.703 8.851 -22.293 1.00 0.00 H new ATOM 104 N ASP A 7 5.036 11.236 -18.710 1.00 0.00 N ATOM 105 CA ASP A 7 5.520 11.729 -17.436 1.00 0.00 C ATOM 106 C ASP A 7 4.592 11.260 -16.326 1.00 0.00 C ATOM 107 O ASP A 7 3.634 11.938 -15.963 1.00 0.00 O ATOM 108 CB ASP A 7 5.618 13.254 -17.451 1.00 0.00 C ATOM 109 CG ASP A 7 6.743 13.753 -18.337 1.00 0.00 C ATOM 110 OD1 ASP A 7 6.737 13.428 -19.543 1.00 0.00 O ATOM 111 OD2 ASP A 7 7.630 14.468 -17.825 1.00 0.00 O ATOM 0 H ASP A 7 4.046 11.414 -18.881 1.00 0.00 H new ATOM 0 HA ASP A 7 6.519 11.332 -17.255 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.673 13.673 -17.798 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.773 13.615 -16.434 1.00 0.00 H new ATOM 116 N GLN A 8 4.884 10.083 -15.798 1.00 0.00 N ATOM 117 CA GLN A 8 4.083 9.502 -14.731 1.00 0.00 C ATOM 118 C GLN A 8 4.102 10.422 -13.527 1.00 0.00 C ATOM 119 O GLN A 8 3.066 10.708 -12.926 1.00 0.00 O ATOM 120 CB GLN A 8 4.618 8.120 -14.356 1.00 0.00 C ATOM 121 CG GLN A 8 4.516 7.103 -15.482 1.00 0.00 C ATOM 122 CD GLN A 8 5.624 6.070 -15.434 1.00 0.00 C ATOM 123 OE1 GLN A 8 5.492 5.030 -14.788 1.00 0.00 O ATOM 124 NE2 GLN A 8 6.726 6.352 -16.120 1.00 0.00 N ATOM 0 H GLN A 8 5.674 9.508 -16.092 1.00 0.00 H new ATOM 0 HA GLN A 8 3.055 9.387 -15.076 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.661 8.213 -14.055 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.068 7.749 -13.491 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.551 6.599 -15.426 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.549 7.622 -16.440 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.792 7.226 -16.642 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.506 5.694 -16.125 1.00 0.00 H new ATOM 133 N ARG A 9 5.290 10.914 -13.204 1.00 0.00 N ATOM 134 CA ARG A 9 5.449 11.838 -12.099 1.00 0.00 C ATOM 135 C ARG A 9 4.685 13.117 -12.393 1.00 0.00 C ATOM 136 O ARG A 9 4.289 13.833 -11.479 1.00 0.00 O ATOM 137 CB ARG A 9 6.929 12.141 -11.858 1.00 0.00 C ATOM 138 CG ARG A 9 7.479 11.510 -10.589 1.00 0.00 C ATOM 139 CD ARG A 9 8.933 11.097 -10.752 1.00 0.00 C ATOM 140 NE ARG A 9 9.769 11.596 -9.663 1.00 0.00 N ATOM 141 CZ ARG A 9 10.023 12.885 -9.455 1.00 0.00 C ATOM 142 NH1 ARG A 9 9.504 13.808 -10.255 1.00 0.00 N ATOM 143 NH2 ARG A 9 10.798 13.255 -8.444 1.00 0.00 N ATOM 0 H ARG A 9 6.155 10.686 -13.694 1.00 0.00 H new ATOM 0 HA ARG A 9 5.047 11.382 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.508 11.786 -12.711 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.067 13.221 -11.806 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.392 12.217 -9.764 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.880 10.638 -10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.999 10.010 -10.791 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.312 11.473 -11.702 1.00 0.00 H new ATOM 0 HE ARG A 9 10.182 10.916 -9.025 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.907 13.530 -11.034 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.702 14.795 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.200 12.551 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 9 10.992 14.244 -8.285 1.00 0.00 H new ATOM 157 N SER A 10 4.464 13.396 -13.679 1.00 0.00 N ATOM 158 CA SER A 10 3.725 14.592 -14.063 1.00 0.00 C ATOM 159 C SER A 10 2.287 14.495 -13.577 1.00 0.00 C ATOM 160 O SER A 10 1.712 15.475 -13.103 1.00 0.00 O ATOM 161 CB SER A 10 3.759 14.805 -15.581 1.00 0.00 C ATOM 162 OG SER A 10 4.905 15.542 -15.968 1.00 0.00 O ATOM 0 H SER A 10 4.781 12.819 -14.458 1.00 0.00 H new ATOM 0 HA SER A 10 4.205 15.451 -13.594 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.756 13.839 -16.087 1.00 0.00 H new ATOM 0 HB3 SER A 10 2.859 15.333 -15.897 1.00 0.00 H new ATOM 0 HG SER A 10 4.825 15.800 -16.910 1.00 0.00 H new ATOM 168 N LYS A 11 1.716 13.302 -13.684 1.00 0.00 N ATOM 169 CA LYS A 11 0.350 13.073 -13.238 1.00 0.00 C ATOM 170 C LYS A 11 0.319 12.782 -11.754 1.00 0.00 C ATOM 171 O LYS A 11 -0.576 13.232 -11.049 1.00 0.00 O ATOM 172 CB LYS A 11 -0.291 11.924 -14.019 1.00 0.00 C ATOM 173 CG LYS A 11 -0.091 12.027 -15.522 1.00 0.00 C ATOM 174 CD LYS A 11 -0.627 13.341 -16.065 1.00 0.00 C ATOM 175 CE LYS A 11 -2.142 13.413 -15.959 1.00 0.00 C ATOM 176 NZ LYS A 11 -2.599 14.712 -15.394 1.00 0.00 N ATOM 0 H LYS A 11 2.177 12.481 -14.075 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.226 13.979 -13.427 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.126 10.980 -13.669 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.359 11.900 -13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.970 11.941 -15.756 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.595 11.196 -16.015 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.183 14.171 -15.515 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.329 13.454 -17.107 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.582 13.272 -16.946 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.501 12.598 -15.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.608 14.648 -15.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.048 14.932 -14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.461 15.465 -16.098 1.00 0.00 H new ATOM 190 N PHE A 12 1.312 12.061 -11.270 1.00 0.00 N ATOM 191 CA PHE A 12 1.381 11.760 -9.864 1.00 0.00 C ATOM 192 C PHE A 12 1.676 13.044 -9.089 1.00 0.00 C ATOM 193 O PHE A 12 1.405 13.135 -7.891 1.00 0.00 O ATOM 194 CB PHE A 12 2.437 10.670 -9.615 1.00 0.00 C ATOM 195 CG PHE A 12 3.132 10.764 -8.289 1.00 0.00 C ATOM 196 CD1 PHE A 12 4.189 11.635 -8.124 1.00 0.00 C ATOM 197 CD2 PHE A 12 2.730 9.983 -7.216 1.00 0.00 C ATOM 198 CE1 PHE A 12 4.840 11.734 -6.908 1.00 0.00 C ATOM 199 CE2 PHE A 12 3.374 10.071 -5.995 1.00 0.00 C ATOM 200 CZ PHE A 12 4.432 10.951 -5.841 1.00 0.00 C ATOM 0 H PHE A 12 2.074 11.678 -11.829 1.00 0.00 H new ATOM 0 HA PHE A 12 0.427 11.369 -9.511 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.957 9.694 -9.690 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.185 10.720 -10.407 1.00 0.00 H new ATOM 0 HD1 PHE A 12 4.512 12.246 -8.954 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.904 9.298 -7.335 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.665 12.421 -6.791 1.00 0.00 H new ATOM 0 HE2 PHE A 12 3.053 9.457 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.938 11.027 -4.890 1.00 0.00 H new ATOM 210 N GLU A 13 2.231 14.039 -9.788 1.00 0.00 N ATOM 211 CA GLU A 13 2.556 15.321 -9.164 1.00 0.00 C ATOM 212 C GLU A 13 1.510 16.400 -9.459 1.00 0.00 C ATOM 213 O GLU A 13 1.332 17.328 -8.672 1.00 0.00 O ATOM 214 CB GLU A 13 3.944 15.800 -9.608 1.00 0.00 C ATOM 215 CG GLU A 13 3.965 16.463 -10.979 1.00 0.00 C ATOM 216 CD GLU A 13 5.368 16.602 -11.536 1.00 0.00 C ATOM 217 OE1 GLU A 13 5.874 15.623 -12.125 1.00 0.00 O ATOM 218 OE2 GLU A 13 5.962 17.689 -11.384 1.00 0.00 O ATOM 0 H GLU A 13 2.463 13.980 -10.780 1.00 0.00 H new ATOM 0 HA GLU A 13 2.556 15.155 -8.087 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.326 16.505 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.624 14.948 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.359 15.878 -11.671 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.506 17.449 -10.909 1.00 0.00 H new ATOM 225 N ASN A 14 0.856 16.304 -10.614 1.00 0.00 N ATOM 226 CA ASN A 14 -0.126 17.312 -11.017 1.00 0.00 C ATOM 227 C ASN A 14 -1.569 16.881 -10.762 1.00 0.00 C ATOM 228 O ASN A 14 -2.438 17.726 -10.545 1.00 0.00 O ATOM 229 CB ASN A 14 0.052 17.650 -12.498 1.00 0.00 C ATOM 230 CG ASN A 14 -0.534 19.001 -12.856 1.00 0.00 C ATOM 231 OD1 ASN A 14 -1.587 19.087 -13.487 1.00 0.00 O ATOM 232 ND2 ASN A 14 0.148 20.067 -12.453 1.00 0.00 N ATOM 0 H ASN A 14 0.985 15.546 -11.284 1.00 0.00 H new ATOM 0 HA ASN A 14 0.059 18.191 -10.400 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.114 17.640 -12.745 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -0.423 16.879 -13.104 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.197 21.003 -12.664 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.017 19.949 -11.932 1.00 0.00 H new ATOM 239 N GLU A 15 -1.838 15.581 -10.799 1.00 0.00 N ATOM 240 CA GLU A 15 -3.201 15.095 -10.578 1.00 0.00 C ATOM 241 C GLU A 15 -3.676 15.436 -9.164 1.00 0.00 C ATOM 242 O GLU A 15 -2.925 15.302 -8.202 1.00 0.00 O ATOM 243 CB GLU A 15 -3.281 13.592 -10.833 1.00 0.00 C ATOM 244 CG GLU A 15 -3.518 13.241 -12.290 1.00 0.00 C ATOM 245 CD GLU A 15 -4.876 13.698 -12.787 1.00 0.00 C ATOM 246 OE1 GLU A 15 -5.037 14.908 -13.047 1.00 0.00 O ATOM 247 OE2 GLU A 15 -5.778 12.844 -12.915 1.00 0.00 O ATOM 0 H GLU A 15 -1.146 14.853 -10.976 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.863 15.596 -11.284 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.354 13.124 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.085 13.171 -10.230 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.739 13.697 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.433 12.162 -12.418 1.00 0.00 H new ATOM 254 N GLU A 16 -4.920 15.909 -9.059 1.00 0.00 N ATOM 255 CA GLU A 16 -5.498 16.316 -7.771 1.00 0.00 C ATOM 256 C GLU A 16 -5.621 15.157 -6.787 1.00 0.00 C ATOM 257 O GLU A 16 -4.823 15.052 -5.856 1.00 0.00 O ATOM 258 CB GLU A 16 -6.861 16.988 -7.974 1.00 0.00 C ATOM 259 CG GLU A 16 -7.777 16.260 -8.945 1.00 0.00 C ATOM 260 CD GLU A 16 -8.302 17.164 -10.044 1.00 0.00 C ATOM 261 OE1 GLU A 16 -7.476 17.763 -10.764 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.538 17.273 -10.183 1.00 0.00 O ATOM 0 H GLU A 16 -5.551 16.021 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.806 17.035 -7.334 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.362 17.067 -7.009 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.702 18.004 -8.334 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.236 15.427 -9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.618 15.836 -8.396 1.00 0.00 H new ATOM 269 N PHE A 17 -6.611 14.284 -6.977 1.00 0.00 N ATOM 270 CA PHE A 17 -6.793 13.148 -6.081 1.00 0.00 C ATOM 271 C PHE A 17 -5.482 12.397 -5.954 1.00 0.00 C ATOM 272 O PHE A 17 -5.132 11.896 -4.887 1.00 0.00 O ATOM 273 CB PHE A 17 -7.921 12.237 -6.605 1.00 0.00 C ATOM 274 CG PHE A 17 -7.625 10.762 -6.549 1.00 0.00 C ATOM 275 CD1 PHE A 17 -6.685 10.199 -7.396 1.00 0.00 C ATOM 276 CD2 PHE A 17 -8.286 9.942 -5.649 1.00 0.00 C ATOM 277 CE1 PHE A 17 -6.408 8.845 -7.346 1.00 0.00 C ATOM 278 CE2 PHE A 17 -8.015 8.587 -5.595 1.00 0.00 C ATOM 279 CZ PHE A 17 -7.074 8.039 -6.445 1.00 0.00 C ATOM 0 H PHE A 17 -7.291 14.342 -7.735 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.086 13.497 -5.091 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -8.824 12.433 -6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.138 12.510 -7.638 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.162 10.825 -8.104 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.022 10.366 -4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.672 8.419 -8.011 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.538 7.958 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.860 6.981 -6.405 1.00 0.00 H new ATOM 289 N PHE A 18 -4.767 12.328 -7.061 1.00 0.00 N ATOM 290 CA PHE A 18 -3.500 11.650 -7.118 1.00 0.00 C ATOM 291 C PHE A 18 -2.482 12.412 -6.276 1.00 0.00 C ATOM 292 O PHE A 18 -1.537 11.828 -5.759 1.00 0.00 O ATOM 293 CB PHE A 18 -3.072 11.606 -8.573 1.00 0.00 C ATOM 294 CG PHE A 18 -2.360 10.363 -8.966 1.00 0.00 C ATOM 295 CD1 PHE A 18 -1.092 10.059 -8.520 1.00 0.00 C ATOM 296 CD2 PHE A 18 -3.005 9.490 -9.809 1.00 0.00 C ATOM 297 CE1 PHE A 18 -0.472 8.887 -8.921 1.00 0.00 C ATOM 298 CE2 PHE A 18 -2.403 8.320 -10.215 1.00 0.00 C ATOM 299 CZ PHE A 18 -1.134 8.016 -9.773 1.00 0.00 C ATOM 0 H PHE A 18 -5.056 12.745 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 18 -3.574 10.637 -6.723 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.955 11.719 -9.202 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.425 12.460 -8.775 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.579 10.738 -7.855 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.999 9.725 -10.158 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.523 8.653 -8.572 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.923 7.644 -10.877 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.656 7.101 -10.090 1.00 0.00 H new ATOM 309 N ARG A 19 -2.707 13.722 -6.128 1.00 0.00 N ATOM 310 CA ARG A 19 -1.833 14.571 -5.325 1.00 0.00 C ATOM 311 C ARG A 19 -2.228 14.471 -3.858 1.00 0.00 C ATOM 312 O ARG A 19 -1.451 13.998 -3.023 1.00 0.00 O ATOM 313 CB ARG A 19 -1.931 16.031 -5.776 1.00 0.00 C ATOM 314 CG ARG A 19 -0.774 16.485 -6.649 1.00 0.00 C ATOM 315 CD ARG A 19 -0.396 17.927 -6.353 1.00 0.00 C ATOM 316 NE ARG A 19 -1.370 18.870 -6.898 1.00 0.00 N ATOM 317 CZ ARG A 19 -1.764 19.982 -6.277 1.00 0.00 C ATOM 318 NH1 ARG A 19 -1.259 20.310 -5.092 1.00 0.00 N ATOM 319 NH2 ARG A 19 -2.664 20.772 -6.846 1.00 0.00 N ATOM 0 H ARG A 19 -3.490 14.215 -6.557 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.806 14.230 -5.457 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.863 16.170 -6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.981 16.671 -4.895 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.087 15.839 -6.481 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.047 16.386 -7.700 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.319 18.068 -5.275 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.587 18.138 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.774 18.664 -7.812 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.564 19.709 -4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.567 21.163 -4.625 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.053 20.528 -7.757 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.967 21.623 -6.373 1.00 0.00 H new ATOM 333 N LYS A 20 -3.456 14.900 -3.550 1.00 0.00 N ATOM 334 CA LYS A 20 -3.955 14.836 -2.178 1.00 0.00 C ATOM 335 C LYS A 20 -3.704 13.446 -1.610 1.00 0.00 C ATOM 336 O LYS A 20 -3.479 13.284 -0.410 1.00 0.00 O ATOM 337 CB LYS A 20 -5.444 15.191 -2.102 1.00 0.00 C ATOM 338 CG LYS A 20 -6.287 14.565 -3.197 1.00 0.00 C ATOM 339 CD LYS A 20 -7.254 15.573 -3.808 1.00 0.00 C ATOM 340 CE LYS A 20 -8.681 15.046 -3.816 1.00 0.00 C ATOM 341 NZ LYS A 20 -9.663 16.098 -3.434 1.00 0.00 N ATOM 0 H LYS A 20 -4.114 15.290 -4.225 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.417 15.573 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.833 14.875 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.551 16.275 -2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.636 14.167 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.847 13.724 -2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.213 16.505 -3.245 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.945 15.803 -4.828 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.923 14.667 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.762 14.206 -3.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.623 15.699 -3.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.448 16.442 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.604 16.889 -4.107 1.00 0.00 H new ATOM 355 N LEU A 21 -3.700 12.448 -2.492 1.00 0.00 N ATOM 356 CA LEU A 21 -3.425 11.079 -2.078 1.00 0.00 C ATOM 357 C LEU A 21 -1.921 10.830 -2.145 1.00 0.00 C ATOM 358 O LEU A 21 -1.363 10.138 -1.294 1.00 0.00 O ATOM 359 CB LEU A 21 -4.166 10.067 -2.958 1.00 0.00 C ATOM 360 CG LEU A 21 -5.681 9.975 -2.735 1.00 0.00 C ATOM 361 CD1 LEU A 21 -6.210 8.652 -3.260 1.00 0.00 C ATOM 362 CD2 LEU A 21 -6.029 10.135 -1.261 1.00 0.00 C ATOM 0 H LEU A 21 -3.883 12.563 -3.489 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.780 10.947 -1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.986 10.321 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.732 9.081 -2.790 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.154 10.789 -3.284 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.286 8.599 -3.096 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.002 8.575 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.722 7.831 -2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.109 10.066 -1.133 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.544 9.347 -0.685 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.684 11.107 -0.909 1.00 0.00 H new ATOM 374 N SER A 22 -1.263 11.436 -3.143 1.00 0.00 N ATOM 375 CA SER A 22 0.191 11.311 -3.297 1.00 0.00 C ATOM 376 C SER A 22 0.899 11.666 -1.994 1.00 0.00 C ATOM 377 O SER A 22 2.062 11.322 -1.792 1.00 0.00 O ATOM 378 CB SER A 22 0.703 12.224 -4.413 1.00 0.00 C ATOM 379 OG SER A 22 2.087 12.492 -4.262 1.00 0.00 O ATOM 0 H SER A 22 -1.713 12.015 -3.852 1.00 0.00 H new ATOM 0 HA SER A 22 0.408 10.275 -3.558 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.524 11.755 -5.381 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.146 13.161 -4.405 1.00 0.00 H new ATOM 0 HG SER A 22 2.604 11.853 -4.796 1.00 0.00 H new ATOM 385 N ARG A 23 0.189 12.367 -1.116 1.00 0.00 N ATOM 386 CA ARG A 23 0.742 12.779 0.161 1.00 0.00 C ATOM 387 C ARG A 23 0.304 11.821 1.260 1.00 0.00 C ATOM 388 O ARG A 23 -0.188 10.725 0.979 1.00 0.00 O ATOM 389 CB ARG A 23 0.284 14.201 0.488 1.00 0.00 C ATOM 390 CG ARG A 23 0.218 15.118 -0.727 1.00 0.00 C ATOM 391 CD ARG A 23 1.515 15.885 -0.920 1.00 0.00 C ATOM 392 NE ARG A 23 1.278 17.284 -1.267 1.00 0.00 N ATOM 393 CZ ARG A 23 0.731 18.170 -0.437 1.00 0.00 C ATOM 394 NH1 ARG A 23 0.363 17.806 0.785 1.00 0.00 N ATOM 395 NH2 ARG A 23 0.551 19.423 -0.831 1.00 0.00 N ATOM 0 H ARG A 23 -0.775 12.661 -1.271 1.00 0.00 H new ATOM 0 HA ARG A 23 1.830 12.760 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.701 14.158 0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.965 14.633 1.222 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.008 14.527 -1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.607 15.821 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.106 15.834 -0.006 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.103 15.411 -1.706 1.00 0.00 H new ATOM 0 HE ARG A 23 1.547 17.600 -2.199 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.499 16.843 1.093 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.055 18.489 1.416 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.831 19.708 -1.769 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.132 20.102 -0.196 1.00 0.00 H new ATOM 409 N GLU A 24 0.503 12.225 2.508 1.00 0.00 N ATOM 410 CA GLU A 24 0.143 11.388 3.646 1.00 0.00 C ATOM 411 C GLU A 24 -1.107 11.902 4.354 1.00 0.00 C ATOM 412 O GLU A 24 -1.206 13.082 4.687 1.00 0.00 O ATOM 413 CB GLU A 24 1.306 11.316 4.638 1.00 0.00 C ATOM 414 CG GLU A 24 2.655 11.066 3.981 1.00 0.00 C ATOM 415 CD GLU A 24 3.727 12.021 4.468 1.00 0.00 C ATOM 416 OE1 GLU A 24 3.774 12.288 5.687 1.00 0.00 O ATOM 417 OE2 GLU A 24 4.521 12.499 3.631 1.00 0.00 O ATOM 0 H GLU A 24 0.911 13.126 2.758 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.074 10.391 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.352 12.250 5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 24 1.109 10.521 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.968 10.041 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.552 11.162 2.900 1.00 0.00 H new ATOM 424 N CYS A 25 -2.054 10.998 4.590 1.00 0.00 N ATOM 425 CA CYS A 25 -3.297 11.343 5.271 1.00 0.00 C ATOM 426 C CYS A 25 -3.845 10.154 6.050 1.00 0.00 C ATOM 427 O CYS A 25 -3.583 8.997 5.721 1.00 0.00 O ATOM 428 CB CYS A 25 -4.339 11.879 4.281 1.00 0.00 C ATOM 429 SG CYS A 25 -4.194 11.227 2.601 1.00 0.00 S ATOM 0 H CYS A 25 -1.983 10.017 4.318 1.00 0.00 H new ATOM 0 HA CYS A 25 -3.075 12.136 5.985 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.334 11.647 4.661 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.258 12.965 4.242 1.00 0.00 H new ATOM 0 HG CYS A 25 -4.306 9.932 2.627 1.00 0.00 H new ATOM 435 N GLU A 26 -4.582 10.463 7.109 1.00 0.00 N ATOM 436 CA GLU A 26 -5.156 9.451 7.989 1.00 0.00 C ATOM 437 C GLU A 26 -5.925 8.367 7.235 1.00 0.00 C ATOM 438 O GLU A 26 -6.653 8.640 6.280 1.00 0.00 O ATOM 439 CB GLU A 26 -6.078 10.115 9.013 1.00 0.00 C ATOM 440 CG GLU A 26 -7.094 11.061 8.395 1.00 0.00 C ATOM 441 CD GLU A 26 -7.273 12.332 9.203 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.285 13.079 9.362 1.00 0.00 O ATOM 443 OE2 GLU A 26 -8.402 12.579 9.677 1.00 0.00 O ATOM 0 H GLU A 26 -4.799 11.421 7.383 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.321 8.961 8.490 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.607 9.341 9.569 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.472 10.666 9.732 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.777 11.319 7.384 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.054 10.552 8.308 1.00 0.00 H new ATOM 450 N ILE A 27 -5.770 7.136 7.714 1.00 0.00 N ATOM 451 CA ILE A 27 -6.455 5.976 7.148 1.00 0.00 C ATOM 452 C ILE A 27 -7.203 5.235 8.257 1.00 0.00 C ATOM 453 O ILE A 27 -6.973 5.496 9.439 1.00 0.00 O ATOM 454 CB ILE A 27 -5.477 5.005 6.450 1.00 0.00 C ATOM 455 CG1 ILE A 27 -4.480 4.417 7.454 1.00 0.00 C ATOM 456 CG2 ILE A 27 -4.742 5.715 5.323 1.00 0.00 C ATOM 457 CD1 ILE A 27 -3.592 3.339 6.864 1.00 0.00 C ATOM 0 H ILE A 27 -5.166 6.914 8.505 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.154 6.340 6.395 1.00 0.00 H new ATOM 0 HB ILE A 27 -6.055 4.183 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.854 5.219 7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.029 4.002 8.299 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.056 5.019 4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -5.463 6.080 4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.179 6.556 5.729 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.912 2.968 7.631 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.210 2.518 6.499 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.016 3.755 6.037 1.00 0.00 H new ATOM 469 N LYS A 28 -8.104 4.325 7.893 1.00 0.00 N ATOM 470 CA LYS A 28 -8.865 3.588 8.904 1.00 0.00 C ATOM 471 C LYS A 28 -9.403 2.260 8.374 1.00 0.00 C ATOM 472 O LYS A 28 -9.501 2.051 7.165 1.00 0.00 O ATOM 473 CB LYS A 28 -10.025 4.446 9.412 1.00 0.00 C ATOM 474 CG LYS A 28 -10.855 5.067 8.301 1.00 0.00 C ATOM 475 CD LYS A 28 -12.082 4.225 7.982 1.00 0.00 C ATOM 476 CE LYS A 28 -13.357 4.886 8.481 1.00 0.00 C ATOM 477 NZ LYS A 28 -14.332 3.889 9.003 1.00 0.00 N ATOM 0 H LYS A 28 -8.324 4.082 6.927 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.180 3.362 9.721 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.673 3.832 10.038 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.629 5.240 10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -11.167 6.069 8.596 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.243 5.174 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.149 4.071 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.978 3.241 8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.112 5.600 9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.815 5.451 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.083 4.380 9.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.752 3.365 8.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -13.843 3.224 9.636 1.00 0.00 H new ATOM 491 N TYR A 29 -9.754 1.364 9.302 1.00 0.00 N ATOM 492 CA TYR A 29 -10.287 0.051 8.949 1.00 0.00 C ATOM 493 C TYR A 29 -11.797 0.099 8.738 1.00 0.00 C ATOM 494 O TYR A 29 -12.523 0.739 9.499 1.00 0.00 O ATOM 495 CB TYR A 29 -9.950 -0.971 10.037 1.00 0.00 C ATOM 496 CG TYR A 29 -9.376 -2.258 9.495 1.00 0.00 C ATOM 497 CD1 TYR A 29 -8.405 -2.244 8.502 1.00 0.00 C ATOM 498 CD2 TYR A 29 -9.804 -3.489 9.977 1.00 0.00 C ATOM 499 CE1 TYR A 29 -7.879 -3.419 8.002 1.00 0.00 C ATOM 500 CE2 TYR A 29 -9.281 -4.668 9.483 1.00 0.00 C ATOM 501 CZ TYR A 29 -8.320 -4.628 8.496 1.00 0.00 C ATOM 502 OH TYR A 29 -7.796 -5.800 8.001 1.00 0.00 O ATOM 0 H TYR A 29 -9.677 1.528 10.306 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.821 -0.252 8.011 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.237 -0.528 10.732 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.852 -1.196 10.606 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.055 -1.298 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.557 -3.524 10.750 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.126 -3.391 7.228 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.624 -5.617 9.868 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.524 -6.383 7.701 1.00 0.00 H new ATOM 512 N THR A 30 -12.263 -0.597 7.703 1.00 0.00 N ATOM 513 CA THR A 30 -13.687 -0.651 7.391 1.00 0.00 C ATOM 514 C THR A 30 -13.949 -1.533 6.171 1.00 0.00 C ATOM 515 O THR A 30 -14.665 -1.142 5.249 1.00 0.00 O ATOM 516 CB THR A 30 -14.243 0.752 7.155 1.00 0.00 C ATOM 517 OG1 THR A 30 -15.621 0.700 6.829 1.00 0.00 O ATOM 518 CG2 THR A 30 -13.537 1.488 6.045 1.00 0.00 C ATOM 0 H THR A 30 -11.673 -1.132 7.066 1.00 0.00 H new ATOM 0 HA THR A 30 -14.198 -1.090 8.248 1.00 0.00 H new ATOM 0 HB THR A 30 -14.082 1.289 8.089 1.00 0.00 H new ATOM 0 HG1 THR A 30 -15.756 0.088 6.076 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.978 2.478 5.927 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.480 1.589 6.290 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.642 0.930 5.114 1.00 0.00 H new ATOM 526 N GLY A 31 -13.366 -2.729 6.178 1.00 0.00 N ATOM 527 CA GLY A 31 -13.548 -3.655 5.072 1.00 0.00 C ATOM 528 C GLY A 31 -14.251 -4.929 5.501 1.00 0.00 C ATOM 529 O GLY A 31 -15.453 -5.086 5.285 1.00 0.00 O ATOM 0 H GLY A 31 -12.770 -3.074 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.126 -3.170 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -12.576 -3.904 4.645 1.00 0.00 H new ATOM 533 N PHE A 32 -13.503 -5.834 6.126 1.00 0.00 N ATOM 534 CA PHE A 32 -14.066 -7.094 6.605 1.00 0.00 C ATOM 535 C PHE A 32 -14.217 -7.070 8.124 1.00 0.00 C ATOM 536 O PHE A 32 -14.780 -7.989 8.717 1.00 0.00 O ATOM 537 CB PHE A 32 -13.189 -8.284 6.189 1.00 0.00 C ATOM 538 CG PHE A 32 -11.709 -8.006 6.217 1.00 0.00 C ATOM 539 CD1 PHE A 32 -11.112 -7.277 5.202 1.00 0.00 C ATOM 540 CD2 PHE A 32 -10.913 -8.480 7.254 1.00 0.00 C ATOM 541 CE1 PHE A 32 -9.753 -7.022 5.216 1.00 0.00 C ATOM 542 CE2 PHE A 32 -9.550 -8.227 7.272 1.00 0.00 C ATOM 543 CZ PHE A 32 -8.973 -7.498 6.252 1.00 0.00 C ATOM 0 H PHE A 32 -12.507 -5.719 6.313 1.00 0.00 H new ATOM 0 HA PHE A 32 -15.050 -7.213 6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -13.401 -9.124 6.850 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -13.470 -8.592 5.182 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.716 -6.903 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.361 -9.051 8.054 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.302 -6.451 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.941 -8.600 8.082 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.911 -7.300 6.264 1.00 0.00 H new ATOM 553 N ARG A 33 -13.698 -6.014 8.742 1.00 0.00 N ATOM 554 CA ARG A 33 -13.748 -5.855 10.188 1.00 0.00 C ATOM 555 C ARG A 33 -15.121 -5.398 10.668 1.00 0.00 C ATOM 556 O ARG A 33 -15.396 -5.386 11.868 1.00 0.00 O ATOM 557 CB ARG A 33 -12.659 -4.875 10.627 1.00 0.00 C ATOM 558 CG ARG A 33 -13.173 -3.499 11.014 1.00 0.00 C ATOM 559 CD ARG A 33 -13.862 -2.810 9.850 1.00 0.00 C ATOM 560 NE ARG A 33 -14.968 -1.963 10.299 1.00 0.00 N ATOM 561 CZ ARG A 33 -16.062 -1.714 9.578 1.00 0.00 C ATOM 562 NH1 ARG A 33 -16.201 -2.232 8.364 1.00 0.00 N ATOM 563 NH2 ARG A 33 -17.017 -0.939 10.072 1.00 0.00 N ATOM 0 H ARG A 33 -13.233 -5.248 8.255 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.568 -6.828 10.646 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.124 -5.302 11.475 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.938 -4.766 9.817 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.870 -3.592 11.847 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -12.342 -2.884 11.361 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.138 -2.204 9.306 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.238 -3.560 9.154 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.898 -1.536 11.223 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.468 -2.826 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.041 -2.037 7.819 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.915 -0.534 11.002 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.854 -0.748 9.522 1.00 0.00 H new ATOM 577 N ASP A 34 -15.974 -5.016 9.733 1.00 0.00 N ATOM 578 CA ASP A 34 -17.316 -4.550 10.065 1.00 0.00 C ATOM 579 C ASP A 34 -18.048 -5.531 10.983 1.00 0.00 C ATOM 580 O ASP A 34 -19.059 -5.176 11.587 1.00 0.00 O ATOM 581 CB ASP A 34 -18.131 -4.336 8.788 1.00 0.00 C ATOM 582 CG ASP A 34 -19.098 -3.173 8.905 1.00 0.00 C ATOM 583 OD1 ASP A 34 -19.082 -2.488 9.950 1.00 0.00 O ATOM 584 OD2 ASP A 34 -19.872 -2.946 7.951 1.00 0.00 O ATOM 0 H ASP A 34 -15.764 -5.018 8.735 1.00 0.00 H new ATOM 0 HA ASP A 34 -17.211 -3.605 10.597 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.453 -4.158 7.953 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -18.687 -5.245 8.559 1.00 0.00 H new ATOM 589 N ARG A 35 -17.542 -6.763 11.094 1.00 0.00 N ATOM 590 CA ARG A 35 -18.181 -7.753 11.953 1.00 0.00 C ATOM 591 C ARG A 35 -17.300 -8.100 13.161 1.00 0.00 C ATOM 592 O ARG A 35 -17.692 -7.846 14.301 1.00 0.00 O ATOM 593 CB ARG A 35 -18.562 -9.017 11.162 1.00 0.00 C ATOM 594 CG ARG A 35 -18.882 -8.757 9.693 1.00 0.00 C ATOM 595 CD ARG A 35 -17.634 -8.439 8.878 1.00 0.00 C ATOM 596 NE ARG A 35 -17.543 -9.257 7.669 1.00 0.00 N ATOM 597 CZ ARG A 35 -17.193 -10.540 7.667 1.00 0.00 C ATOM 598 NH1 ARG A 35 -16.907 -11.161 8.805 1.00 0.00 N ATOM 599 NH2 ARG A 35 -17.129 -11.207 6.523 1.00 0.00 N ATOM 0 H ARG A 35 -16.707 -7.091 10.608 1.00 0.00 H new ATOM 0 HA ARG A 35 -19.101 -7.310 12.333 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -17.742 -9.733 11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -19.427 -9.482 11.635 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -19.376 -9.632 9.271 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -19.584 -7.927 9.618 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -17.641 -7.385 8.602 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.749 -8.602 9.493 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.761 -8.818 6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -16.955 -10.654 9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.639 -12.145 8.796 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -17.348 -10.736 5.645 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.861 -12.191 6.521 1.00 0.00 H new ATOM 613 N PRO A 36 -16.105 -8.692 12.951 1.00 0.00 N ATOM 614 CA PRO A 36 -15.202 -9.069 14.025 1.00 0.00 C ATOM 615 C PRO A 36 -14.030 -8.101 14.175 1.00 0.00 C ATOM 616 O PRO A 36 -12.894 -8.525 14.348 1.00 0.00 O ATOM 617 CB PRO A 36 -14.699 -10.423 13.526 1.00 0.00 C ATOM 618 CG PRO A 36 -14.744 -10.331 12.023 1.00 0.00 C ATOM 619 CD PRO A 36 -15.513 -9.074 11.668 1.00 0.00 C ATOM 0 HA PRO A 36 -15.682 -9.076 15.003 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -13.687 -10.621 13.878 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -15.328 -11.235 13.890 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.736 -10.293 11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.229 -11.210 11.599 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -14.859 -8.296 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -16.274 -9.264 10.911 1.00 0.00 H new ATOM 627 N HIS A 37 -14.313 -6.803 14.093 1.00 0.00 N ATOM 628 CA HIS A 37 -13.277 -5.769 14.198 1.00 0.00 C ATOM 629 C HIS A 37 -12.236 -6.085 15.282 1.00 0.00 C ATOM 630 O HIS A 37 -11.029 -6.010 15.035 1.00 0.00 O ATOM 631 CB HIS A 37 -13.932 -4.409 14.472 1.00 0.00 C ATOM 632 CG HIS A 37 -12.957 -3.282 14.653 1.00 0.00 C ATOM 633 ND1 HIS A 37 -12.178 -3.139 15.781 1.00 0.00 N ATOM 634 CD2 HIS A 37 -12.651 -2.228 13.852 1.00 0.00 C ATOM 635 CE1 HIS A 37 -11.441 -2.049 15.670 1.00 0.00 C ATOM 636 NE2 HIS A 37 -11.709 -1.479 14.509 1.00 0.00 N ATOM 0 H HIS A 37 -15.255 -6.437 13.953 1.00 0.00 H new ATOM 0 HA HIS A 37 -12.745 -5.741 13.247 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.600 -4.167 13.646 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -14.548 -4.489 15.368 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -12.172 -3.776 16.578 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -13.071 -2.019 12.879 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -10.738 -1.685 16.404 1.00 0.00 H new ATOM 645 N GLU A 38 -12.702 -6.422 16.479 1.00 0.00 N ATOM 646 CA GLU A 38 -11.803 -6.723 17.595 1.00 0.00 C ATOM 647 C GLU A 38 -10.889 -7.910 17.304 1.00 0.00 C ATOM 648 O GLU A 38 -9.735 -7.926 17.729 1.00 0.00 O ATOM 649 CB GLU A 38 -12.610 -6.982 18.869 1.00 0.00 C ATOM 650 CG GLU A 38 -12.808 -5.741 19.723 1.00 0.00 C ATOM 651 CD GLU A 38 -13.598 -6.022 20.986 1.00 0.00 C ATOM 652 OE1 GLU A 38 -13.057 -6.696 21.888 1.00 0.00 O ATOM 653 OE2 GLU A 38 -14.758 -5.567 21.075 1.00 0.00 O ATOM 0 H GLU A 38 -13.694 -6.495 16.705 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.165 -5.851 17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -13.585 -7.385 18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -12.104 -7.744 19.461 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -11.835 -5.330 19.992 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.324 -4.980 19.138 1.00 0.00 H new ATOM 660 N GLU A 39 -11.386 -8.883 16.553 1.00 0.00 N ATOM 661 CA GLU A 39 -10.575 -10.041 16.188 1.00 0.00 C ATOM 662 C GLU A 39 -9.798 -9.676 14.955 1.00 0.00 C ATOM 663 O GLU A 39 -8.631 -10.028 14.780 1.00 0.00 O ATOM 664 CB GLU A 39 -11.448 -11.263 15.909 1.00 0.00 C ATOM 665 CG GLU A 39 -10.874 -12.560 16.454 1.00 0.00 C ATOM 666 CD GLU A 39 -10.819 -12.581 17.970 1.00 0.00 C ATOM 667 OE1 GLU A 39 -11.876 -12.794 18.599 1.00 0.00 O ATOM 668 OE2 GLU A 39 -9.719 -12.383 18.526 1.00 0.00 O ATOM 0 H GLU A 39 -12.338 -8.896 16.186 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.909 -10.299 17.011 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.434 -11.101 16.344 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.587 -11.361 14.832 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.479 -13.396 16.104 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.870 -12.705 16.055 1.00 0.00 H new ATOM 675 N ARG A 40 -10.493 -8.937 14.115 1.00 0.00 N ATOM 676 CA ARG A 40 -9.966 -8.442 12.877 1.00 0.00 C ATOM 677 C ARG A 40 -8.661 -7.705 13.113 1.00 0.00 C ATOM 678 O ARG A 40 -7.809 -7.637 12.229 1.00 0.00 O ATOM 679 CB ARG A 40 -11.013 -7.545 12.255 1.00 0.00 C ATOM 680 CG ARG A 40 -12.206 -8.329 11.749 1.00 0.00 C ATOM 681 CD ARG A 40 -12.051 -8.708 10.287 1.00 0.00 C ATOM 682 NE ARG A 40 -11.874 -10.149 10.114 1.00 0.00 N ATOM 683 CZ ARG A 40 -12.683 -10.924 9.389 1.00 0.00 C ATOM 684 NH1 ARG A 40 -13.739 -10.411 8.769 1.00 0.00 N ATOM 685 NH2 ARG A 40 -12.432 -12.223 9.286 1.00 0.00 N ATOM 0 H ARG A 40 -11.460 -8.662 14.285 1.00 0.00 H new ATOM 0 HA ARG A 40 -9.742 -9.263 12.196 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.346 -6.813 12.991 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.569 -6.988 11.430 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.329 -9.232 12.348 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.112 -7.736 11.877 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.930 -8.381 9.732 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.194 -8.183 9.865 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.080 -10.591 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.940 -9.414 8.844 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -14.350 -11.014 8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.623 -12.625 9.760 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.048 -12.819 8.733 1.00 0.00 H new ATOM 699 N GLN A 41 -8.486 -7.192 14.331 1.00 0.00 N ATOM 700 CA GLN A 41 -7.245 -6.513 14.676 1.00 0.00 C ATOM 701 C GLN A 41 -6.095 -7.474 14.403 1.00 0.00 C ATOM 702 O GLN A 41 -5.021 -7.085 13.938 1.00 0.00 O ATOM 703 CB GLN A 41 -7.248 -6.072 16.144 1.00 0.00 C ATOM 704 CG GLN A 41 -7.162 -7.223 17.136 1.00 0.00 C ATOM 705 CD GLN A 41 -5.735 -7.538 17.542 1.00 0.00 C ATOM 706 OE1 GLN A 41 -4.798 -6.845 17.145 1.00 0.00 O ATOM 707 NE2 GLN A 41 -5.564 -8.587 18.338 1.00 0.00 N ATOM 0 H GLN A 41 -9.176 -7.234 15.081 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.134 -5.612 14.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.408 -5.398 16.312 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.157 -5.504 16.340 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.743 -6.976 18.025 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.615 -8.111 16.696 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.370 -9.133 18.642 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.627 -8.847 18.645 1.00 0.00 H new ATOM 716 N THR A 42 -6.368 -8.752 14.660 1.00 0.00 N ATOM 717 CA THR A 42 -5.412 -9.812 14.415 1.00 0.00 C ATOM 718 C THR A 42 -5.505 -10.239 12.961 1.00 0.00 C ATOM 719 O THR A 42 -4.500 -10.589 12.345 1.00 0.00 O ATOM 720 CB THR A 42 -5.679 -11.002 15.340 1.00 0.00 C ATOM 721 OG1 THR A 42 -5.816 -10.572 16.683 1.00 0.00 O ATOM 722 CG2 THR A 42 -4.586 -12.048 15.303 1.00 0.00 C ATOM 0 H THR A 42 -7.257 -9.073 15.043 1.00 0.00 H new ATOM 0 HA THR A 42 -4.407 -9.445 14.622 1.00 0.00 H new ATOM 0 HB THR A 42 -6.601 -11.451 14.972 1.00 0.00 H new ATOM 0 HG1 THR A 42 -5.987 -11.346 17.259 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.839 -12.863 15.981 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.489 -12.437 14.289 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.642 -11.599 15.612 1.00 0.00 H new ATOM 730 N ARG A 43 -6.717 -10.185 12.400 1.00 0.00 N ATOM 731 CA ARG A 43 -6.897 -10.546 10.996 1.00 0.00 C ATOM 732 C ARG A 43 -6.096 -9.595 10.119 1.00 0.00 C ATOM 733 O ARG A 43 -5.559 -9.988 9.083 1.00 0.00 O ATOM 734 CB ARG A 43 -8.369 -10.508 10.596 1.00 0.00 C ATOM 735 CG ARG A 43 -9.017 -11.878 10.561 1.00 0.00 C ATOM 736 CD ARG A 43 -9.586 -12.260 11.918 1.00 0.00 C ATOM 737 NE ARG A 43 -9.661 -13.709 12.091 1.00 0.00 N ATOM 738 CZ ARG A 43 -8.612 -14.477 12.382 1.00 0.00 C ATOM 739 NH1 ARG A 43 -7.409 -13.938 12.538 1.00 0.00 N ATOM 740 NH2 ARG A 43 -8.767 -15.787 12.519 1.00 0.00 N ATOM 0 H ARG A 43 -7.568 -9.901 12.885 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.539 -11.566 10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.912 -9.875 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.459 -10.046 9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.813 -11.886 9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -8.282 -12.621 10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -8.965 -11.832 12.705 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -10.581 -11.830 12.028 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.570 -14.159 11.983 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.284 -12.931 12.435 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.609 -14.531 12.761 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -9.689 -16.206 12.402 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.964 -16.375 12.742 1.00 0.00 H new ATOM 754 N PHE A 44 -6.002 -8.343 10.559 1.00 0.00 N ATOM 755 CA PHE A 44 -5.249 -7.337 9.838 1.00 0.00 C ATOM 756 C PHE A 44 -3.757 -7.600 10.023 1.00 0.00 C ATOM 757 O PHE A 44 -3.013 -7.739 9.051 1.00 0.00 O ATOM 758 CB PHE A 44 -5.629 -5.941 10.343 1.00 0.00 C ATOM 759 CG PHE A 44 -4.476 -4.990 10.423 1.00 0.00 C ATOM 760 CD1 PHE A 44 -4.000 -4.363 9.287 1.00 0.00 C ATOM 761 CD2 PHE A 44 -3.869 -4.735 11.636 1.00 0.00 C ATOM 762 CE1 PHE A 44 -2.933 -3.491 9.358 1.00 0.00 C ATOM 763 CE2 PHE A 44 -2.800 -3.863 11.720 1.00 0.00 C ATOM 764 CZ PHE A 44 -2.331 -3.240 10.577 1.00 0.00 C ATOM 0 H PHE A 44 -6.442 -8.006 11.415 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.484 -7.387 8.775 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -6.388 -5.521 9.683 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.080 -6.033 11.331 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.468 -4.558 8.333 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.233 -5.222 12.529 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -2.569 -3.006 8.464 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.333 -3.669 12.674 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.495 -2.558 10.637 1.00 0.00 H new ATOM 774 N GLN A 45 -3.333 -7.692 11.284 1.00 0.00 N ATOM 775 CA GLN A 45 -1.935 -7.968 11.601 1.00 0.00 C ATOM 776 C GLN A 45 -1.519 -9.304 10.992 1.00 0.00 C ATOM 777 O GLN A 45 -0.359 -9.508 10.637 1.00 0.00 O ATOM 778 CB GLN A 45 -1.727 -7.994 13.118 1.00 0.00 C ATOM 779 CG GLN A 45 -0.981 -6.781 13.651 1.00 0.00 C ATOM 780 CD GLN A 45 -0.803 -6.822 15.156 1.00 0.00 C ATOM 781 OE1 GLN A 45 0.313 -6.702 15.663 1.00 0.00 O ATOM 782 NE2 GLN A 45 -1.903 -6.995 15.878 1.00 0.00 N ATOM 0 H GLN A 45 -3.937 -7.580 12.098 1.00 0.00 H new ATOM 0 HA GLN A 45 -1.316 -7.176 11.179 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.698 -8.057 13.608 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.176 -8.896 13.385 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.002 -6.722 13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.524 -5.876 13.377 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.807 -7.090 15.415 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -1.844 -7.033 16.896 1.00 0.00 H new ATOM 791 N ASN A 46 -2.493 -10.199 10.857 1.00 0.00 N ATOM 792 CA ASN A 46 -2.265 -11.512 10.267 1.00 0.00 C ATOM 793 C ASN A 46 -2.227 -11.382 8.751 1.00 0.00 C ATOM 794 O ASN A 46 -1.574 -12.162 8.059 1.00 0.00 O ATOM 795 CB ASN A 46 -3.364 -12.491 10.685 1.00 0.00 C ATOM 796 CG ASN A 46 -3.189 -12.985 12.107 1.00 0.00 C ATOM 797 OD1 ASN A 46 -2.331 -12.499 12.844 1.00 0.00 O ATOM 798 ND2 ASN A 46 -4.003 -13.958 12.500 1.00 0.00 N ATOM 0 H ASN A 46 -3.456 -10.035 11.152 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.311 -11.901 10.624 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.335 -12.005 10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.365 -13.343 10.005 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.931 -14.332 13.446 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.700 -14.331 11.856 1.00 0.00 H new ATOM 805 N ALA A 47 -2.906 -10.356 8.252 1.00 0.00 N ATOM 806 CA ALA A 47 -2.928 -10.073 6.832 1.00 0.00 C ATOM 807 C ALA A 47 -1.571 -9.526 6.435 1.00 0.00 C ATOM 808 O ALA A 47 -1.099 -9.735 5.317 1.00 0.00 O ATOM 809 CB ALA A 47 -4.036 -9.086 6.495 1.00 0.00 C ATOM 0 H ALA A 47 -3.450 -9.705 8.818 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.132 -10.987 6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.034 -8.888 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.999 -9.507 6.784 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.870 -8.154 7.036 1.00 0.00 H new ATOM 815 N CYS A 48 -0.928 -8.857 7.391 1.00 0.00 N ATOM 816 CA CYS A 48 0.404 -8.318 7.172 1.00 0.00 C ATOM 817 C CYS A 48 1.380 -9.472 7.007 1.00 0.00 C ATOM 818 O CYS A 48 2.454 -9.318 6.426 1.00 0.00 O ATOM 819 CB CYS A 48 0.827 -7.427 8.342 1.00 0.00 C ATOM 820 SG CYS A 48 1.761 -5.959 7.852 1.00 0.00 S ATOM 0 H CYS A 48 -1.310 -8.678 8.320 1.00 0.00 H new ATOM 0 HA CYS A 48 0.402 -7.706 6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -0.064 -7.113 8.886 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.431 -8.015 9.033 1.00 0.00 H new ATOM 0 HG CYS A 48 2.423 -5.505 8.874 1.00 0.00 H new ATOM 826 N ARG A 49 0.978 -10.642 7.505 1.00 0.00 N ATOM 827 CA ARG A 49 1.801 -11.837 7.390 1.00 0.00 C ATOM 828 C ARG A 49 1.699 -12.394 5.971 1.00 0.00 C ATOM 829 O ARG A 49 2.618 -13.048 5.479 1.00 0.00 O ATOM 830 CB ARG A 49 1.373 -12.882 8.433 1.00 0.00 C ATOM 831 CG ARG A 49 1.346 -14.316 7.918 1.00 0.00 C ATOM 832 CD ARG A 49 0.924 -15.294 9.005 1.00 0.00 C ATOM 833 NE ARG A 49 -0.360 -15.924 8.707 1.00 0.00 N ATOM 834 CZ ARG A 49 -1.103 -16.556 9.611 1.00 0.00 C ATOM 835 NH1 ARG A 49 -0.697 -16.642 10.872 1.00 0.00 N ATOM 836 NH2 ARG A 49 -2.259 -17.102 9.255 1.00 0.00 N ATOM 0 H ARG A 49 0.091 -10.783 7.989 1.00 0.00 H new ATOM 0 HA ARG A 49 2.842 -11.582 7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 49 2.053 -12.828 9.283 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.380 -12.623 8.802 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.658 -14.388 7.076 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.334 -14.588 7.546 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.688 -16.063 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.858 -14.770 9.958 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.707 -15.876 7.749 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.189 -16.222 11.152 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.271 -17.128 11.561 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.577 -17.037 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.829 -17.587 9.948 1.00 0.00 H new ATOM 850 N ASP A 50 0.572 -12.113 5.316 1.00 0.00 N ATOM 851 CA ASP A 50 0.342 -12.565 3.950 1.00 0.00 C ATOM 852 C ASP A 50 0.590 -11.431 2.954 1.00 0.00 C ATOM 853 O ASP A 50 0.245 -11.539 1.777 1.00 0.00 O ATOM 854 CB ASP A 50 -1.087 -13.090 3.798 1.00 0.00 C ATOM 855 CG ASP A 50 -1.284 -14.432 4.473 1.00 0.00 C ATOM 856 OD1 ASP A 50 -1.122 -14.505 5.709 1.00 0.00 O ATOM 857 OD2 ASP A 50 -1.601 -15.413 3.765 1.00 0.00 O ATOM 0 H ASP A 50 -0.196 -11.573 5.714 1.00 0.00 H new ATOM 0 HA ASP A 50 1.042 -13.373 3.737 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.784 -12.367 4.222 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.327 -13.180 2.739 1.00 0.00 H new ATOM 862 N GLY A 51 1.199 -10.346 3.433 1.00 0.00 N ATOM 863 CA GLY A 51 1.494 -9.211 2.576 1.00 0.00 C ATOM 864 C GLY A 51 0.266 -8.663 1.873 1.00 0.00 C ATOM 865 O GLY A 51 0.351 -8.216 0.733 1.00 0.00 O ATOM 0 H GLY A 51 1.493 -10.235 4.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.947 -8.420 3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.231 -9.508 1.830 1.00 0.00 H new ATOM 869 N ARG A 52 -0.876 -8.700 2.549 1.00 0.00 N ATOM 870 CA ARG A 52 -2.118 -8.202 1.973 1.00 0.00 C ATOM 871 C ARG A 52 -3.081 -7.681 3.029 1.00 0.00 C ATOM 872 O ARG A 52 -3.407 -8.377 3.989 1.00 0.00 O ATOM 873 CB ARG A 52 -2.792 -9.298 1.162 1.00 0.00 C ATOM 874 CG ARG A 52 -2.216 -9.413 -0.227 1.00 0.00 C ATOM 875 CD ARG A 52 -1.560 -10.766 -0.461 1.00 0.00 C ATOM 876 NE ARG A 52 -2.196 -11.501 -1.552 1.00 0.00 N ATOM 877 CZ ARG A 52 -1.618 -12.507 -2.206 1.00 0.00 C ATOM 878 NH1 ARG A 52 -0.392 -12.900 -1.884 1.00 0.00 N ATOM 879 NH2 ARG A 52 -2.268 -13.119 -3.186 1.00 0.00 N ATOM 0 H ARG A 52 -0.967 -9.069 3.495 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.858 -7.364 1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.682 -10.251 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.861 -9.093 1.095 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.007 -9.262 -0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.482 -8.622 -0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -0.504 -10.622 -0.688 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.612 -11.357 0.453 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.139 -11.227 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.113 -12.431 -1.132 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.045 -13.671 -2.389 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.210 -12.819 -3.438 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.826 -13.890 -3.688 1.00 0.00 H new ATOM 893 N SER A 53 -3.556 -6.461 2.820 1.00 0.00 N ATOM 894 CA SER A 53 -4.518 -5.844 3.731 1.00 0.00 C ATOM 895 C SER A 53 -5.516 -4.978 2.968 1.00 0.00 C ATOM 896 O SER A 53 -5.289 -4.614 1.810 1.00 0.00 O ATOM 897 CB SER A 53 -3.813 -5.014 4.806 1.00 0.00 C ATOM 898 OG SER A 53 -3.654 -3.666 4.398 1.00 0.00 O ATOM 0 H SER A 53 -3.292 -5.876 2.027 1.00 0.00 H new ATOM 0 HA SER A 53 -5.062 -6.649 4.224 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.388 -5.050 5.731 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.837 -5.448 5.021 1.00 0.00 H new ATOM 0 HG SER A 53 -3.053 -3.205 5.020 1.00 0.00 H new ATOM 904 N GLU A 54 -6.613 -4.640 3.634 1.00 0.00 N ATOM 905 CA GLU A 54 -7.651 -3.803 3.042 1.00 0.00 C ATOM 906 C GLU A 54 -8.010 -2.666 3.990 1.00 0.00 C ATOM 907 O GLU A 54 -8.693 -2.875 4.992 1.00 0.00 O ATOM 908 CB GLU A 54 -8.895 -4.636 2.725 1.00 0.00 C ATOM 909 CG GLU A 54 -9.701 -4.103 1.552 1.00 0.00 C ATOM 910 CD GLU A 54 -10.898 -4.973 1.220 1.00 0.00 C ATOM 911 OE1 GLU A 54 -11.214 -5.880 2.019 1.00 0.00 O ATOM 912 OE2 GLU A 54 -11.519 -4.748 0.160 1.00 0.00 O ATOM 0 H GLU A 54 -6.808 -4.935 4.591 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.269 -3.382 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.591 -5.661 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.533 -4.671 3.608 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.043 -3.094 1.780 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.056 -4.030 0.676 1.00 0.00 H new ATOM 919 N ILE A 55 -7.536 -1.464 3.680 1.00 0.00 N ATOM 920 CA ILE A 55 -7.800 -0.306 4.523 1.00 0.00 C ATOM 921 C ILE A 55 -8.506 0.804 3.760 1.00 0.00 C ATOM 922 O ILE A 55 -8.286 0.989 2.562 1.00 0.00 O ATOM 923 CB ILE A 55 -6.497 0.276 5.112 1.00 0.00 C ATOM 924 CG1 ILE A 55 -5.344 0.160 4.106 1.00 0.00 C ATOM 925 CG2 ILE A 55 -6.145 -0.406 6.424 1.00 0.00 C ATOM 926 CD1 ILE A 55 -4.752 -1.231 4.007 1.00 0.00 C ATOM 0 H ILE A 55 -6.970 -1.268 2.855 1.00 0.00 H new ATOM 0 HA ILE A 55 -8.444 -0.664 5.326 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.660 1.334 5.316 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.702 0.463 3.122 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.557 0.860 4.388 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.223 0.021 6.820 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.952 -0.255 7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.007 -1.474 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.943 -1.231 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.362 -1.530 4.980 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.524 -1.934 3.694 1.00 0.00 H new ATOM 938 N ALA A 56 -9.332 1.564 4.471 1.00 0.00 N ATOM 939 CA ALA A 56 -10.041 2.683 3.871 1.00 0.00 C ATOM 940 C ALA A 56 -9.192 3.937 3.989 1.00 0.00 C ATOM 941 O ALA A 56 -8.343 4.035 4.876 1.00 0.00 O ATOM 942 CB ALA A 56 -11.388 2.890 4.537 1.00 0.00 C ATOM 0 H ALA A 56 -9.525 1.424 5.463 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.220 2.465 2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.899 3.732 4.071 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.993 1.990 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.242 3.096 5.597 1.00 0.00 H new ATOM 948 N PHE A 57 -9.398 4.883 3.089 1.00 0.00 N ATOM 949 CA PHE A 57 -8.613 6.106 3.108 1.00 0.00 C ATOM 950 C PHE A 57 -9.485 7.290 3.526 1.00 0.00 C ATOM 951 O PHE A 57 -10.518 7.556 2.911 1.00 0.00 O ATOM 952 CB PHE A 57 -8.019 6.340 1.718 1.00 0.00 C ATOM 953 CG PHE A 57 -6.676 7.015 1.715 1.00 0.00 C ATOM 954 CD1 PHE A 57 -6.172 7.625 2.853 1.00 0.00 C ATOM 955 CD2 PHE A 57 -5.904 7.013 0.565 1.00 0.00 C ATOM 956 CE1 PHE A 57 -4.925 8.219 2.840 1.00 0.00 C ATOM 957 CE2 PHE A 57 -4.661 7.608 0.545 1.00 0.00 C ATOM 958 CZ PHE A 57 -4.169 8.211 1.685 1.00 0.00 C ATOM 0 H PHE A 57 -10.093 4.830 2.344 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.805 6.010 3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.929 5.380 1.210 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -8.716 6.944 1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.760 7.636 3.759 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.281 6.538 -0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.542 8.690 3.733 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.073 7.602 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.194 8.676 1.673 1.00 0.00 H new ATOM 968 N VAL A 58 -9.072 7.991 4.580 1.00 0.00 N ATOM 969 CA VAL A 58 -9.830 9.136 5.077 1.00 0.00 C ATOM 970 C VAL A 58 -9.676 10.352 4.169 1.00 0.00 C ATOM 971 O VAL A 58 -10.495 11.271 4.208 1.00 0.00 O ATOM 972 CB VAL A 58 -9.405 9.518 6.507 1.00 0.00 C ATOM 973 CG1 VAL A 58 -10.333 10.580 7.076 1.00 0.00 C ATOM 974 CG2 VAL A 58 -9.379 8.289 7.404 1.00 0.00 C ATOM 0 H VAL A 58 -8.221 7.787 5.104 1.00 0.00 H new ATOM 0 HA VAL A 58 -10.876 8.831 5.085 1.00 0.00 H new ATOM 0 HB VAL A 58 -8.398 9.932 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.016 10.836 8.087 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -10.296 11.470 6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.353 10.196 7.102 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -9.076 8.579 8.410 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -10.373 7.843 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.669 7.564 7.007 1.00 0.00 H new ATOM 984 N ALA A 59 -8.627 10.358 3.349 1.00 0.00 N ATOM 985 CA ALA A 59 -8.380 11.470 2.436 1.00 0.00 C ATOM 986 C ALA A 59 -9.639 11.826 1.651 1.00 0.00 C ATOM 987 O ALA A 59 -10.071 12.979 1.636 1.00 0.00 O ATOM 988 CB ALA A 59 -7.242 11.129 1.485 1.00 0.00 C ATOM 0 H ALA A 59 -7.937 9.608 3.299 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.095 12.339 3.029 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -7.069 11.967 0.810 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.336 10.931 2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.505 10.244 0.905 1.00 0.00 H new ATOM 994 N THR A 60 -10.226 10.825 1.003 1.00 0.00 N ATOM 995 CA THR A 60 -11.438 11.024 0.219 1.00 0.00 C ATOM 996 C THR A 60 -12.406 9.857 0.400 1.00 0.00 C ATOM 997 O THR A 60 -13.335 9.684 -0.389 1.00 0.00 O ATOM 998 CB THR A 60 -11.091 11.187 -1.261 1.00 0.00 C ATOM 999 OG1 THR A 60 -10.300 10.103 -1.713 1.00 0.00 O ATOM 1000 CG2 THR A 60 -10.334 12.463 -1.560 1.00 0.00 C ATOM 0 H THR A 60 -9.880 9.865 1.006 1.00 0.00 H new ATOM 0 HA THR A 60 -11.924 11.932 0.575 1.00 0.00 H new ATOM 0 HB THR A 60 -12.049 11.220 -1.781 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.090 10.225 -2.662 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.119 12.517 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.939 13.322 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.399 12.471 -1.001 1.00 0.00 H new ATOM 1008 N GLY A 61 -12.182 9.055 1.439 1.00 0.00 N ATOM 1009 CA GLY A 61 -13.044 7.915 1.692 1.00 0.00 C ATOM 1010 C GLY A 61 -12.967 6.884 0.586 1.00 0.00 C ATOM 1011 O GLY A 61 -13.983 6.526 -0.011 1.00 0.00 O ATOM 0 H GLY A 61 -11.421 9.175 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.763 7.452 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -14.074 8.256 1.797 1.00 0.00 H new ATOM 1015 N THR A 62 -11.757 6.409 0.307 1.00 0.00 N ATOM 1016 CA THR A 62 -11.546 5.418 -0.742 1.00 0.00 C ATOM 1017 C THR A 62 -11.011 4.111 -0.166 1.00 0.00 C ATOM 1018 O THR A 62 -10.024 4.104 0.569 1.00 0.00 O ATOM 1019 CB THR A 62 -10.572 5.959 -1.792 1.00 0.00 C ATOM 1020 OG1 THR A 62 -10.284 4.971 -2.765 1.00 0.00 O ATOM 1021 CG2 THR A 62 -9.253 6.424 -1.206 1.00 0.00 C ATOM 0 H THR A 62 -10.907 6.695 0.793 1.00 0.00 H new ATOM 0 HA THR A 62 -12.509 5.217 -1.212 1.00 0.00 H new ATOM 0 HB THR A 62 -11.076 6.817 -2.236 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.662 5.336 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 62 -8.611 6.795 -2.005 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.436 7.222 -0.487 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.763 5.589 -0.705 1.00 0.00 H new ATOM 1029 N ASN A 63 -11.659 3.003 -0.518 1.00 0.00 N ATOM 1030 CA ASN A 63 -11.233 1.691 -0.047 1.00 0.00 C ATOM 1031 C ASN A 63 -10.054 1.208 -0.880 1.00 0.00 C ATOM 1032 O ASN A 63 -10.046 1.363 -2.101 1.00 0.00 O ATOM 1033 CB ASN A 63 -12.387 0.689 -0.134 1.00 0.00 C ATOM 1034 CG ASN A 63 -12.235 -0.452 0.853 1.00 0.00 C ATOM 1035 OD1 ASN A 63 -11.289 -0.487 1.640 1.00 0.00 O ATOM 1036 ND2 ASN A 63 -13.172 -1.393 0.817 1.00 0.00 N ATOM 0 H ASN A 63 -12.478 2.989 -1.126 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.927 1.772 0.996 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.328 1.205 0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -12.440 0.287 -1.146 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -13.125 -2.185 1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -13.939 -1.324 0.148 1.00 0.00 H new ATOM 1043 N LEU A 64 -9.044 0.648 -0.223 1.00 0.00 N ATOM 1044 CA LEU A 64 -7.860 0.184 -0.933 1.00 0.00 C ATOM 1045 C LEU A 64 -7.372 -1.174 -0.441 1.00 0.00 C ATOM 1046 O LEU A 64 -7.020 -1.339 0.727 1.00 0.00 O ATOM 1047 CB LEU A 64 -6.733 1.207 -0.785 1.00 0.00 C ATOM 1048 CG LEU A 64 -7.074 2.622 -1.261 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -6.593 3.657 -0.254 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -6.467 2.886 -2.630 1.00 0.00 C ATOM 0 H LEU A 64 -9.021 0.506 0.787 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.142 0.072 -1.980 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.441 1.254 0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.866 0.852 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.158 2.703 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.845 4.656 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.077 3.482 0.707 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.512 3.575 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.720 3.896 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.383 2.784 -2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.862 2.167 -3.348 1.00 0.00 H new ATOM 1062 N SER A 65 -7.309 -2.128 -1.363 1.00 0.00 N ATOM 1063 CA SER A 65 -6.812 -3.463 -1.065 1.00 0.00 C ATOM 1064 C SER A 65 -5.452 -3.613 -1.731 1.00 0.00 C ATOM 1065 O SER A 65 -5.360 -3.689 -2.957 1.00 0.00 O ATOM 1066 CB SER A 65 -7.781 -4.531 -1.576 1.00 0.00 C ATOM 1067 OG SER A 65 -9.116 -4.057 -1.566 1.00 0.00 O ATOM 0 H SER A 65 -7.599 -1.998 -2.332 1.00 0.00 H new ATOM 0 HA SER A 65 -6.722 -3.596 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.503 -4.823 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.704 -5.423 -0.954 1.00 0.00 H new ATOM 0 HG SER A 65 -9.715 -4.758 -1.899 1.00 0.00 H new ATOM 1073 N LEU A 66 -4.392 -3.589 -0.933 1.00 0.00 N ATOM 1074 CA LEU A 66 -3.042 -3.654 -1.482 1.00 0.00 C ATOM 1075 C LEU A 66 -2.287 -4.917 -1.099 1.00 0.00 C ATOM 1076 O LEU A 66 -2.500 -5.496 -0.034 1.00 0.00 O ATOM 1077 CB LEU A 66 -2.243 -2.438 -1.027 1.00 0.00 C ATOM 1078 CG LEU A 66 -2.982 -1.106 -1.136 1.00 0.00 C ATOM 1079 CD1 LEU A 66 -3.548 -0.693 0.214 1.00 0.00 C ATOM 1080 CD2 LEU A 66 -2.052 -0.035 -1.677 1.00 0.00 C ATOM 0 H LEU A 66 -4.438 -3.526 0.084 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.153 -3.668 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.942 -2.586 0.010 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.329 -2.380 -1.619 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.815 -1.227 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.070 0.258 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.245 -1.454 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.735 -0.587 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.590 0.910 -1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.202 0.082 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.696 -0.328 -2.665 1.00 0.00 H new ATOM 1092 N GLN A 67 -1.372 -5.306 -1.982 1.00 0.00 N ATOM 1093 CA GLN A 67 -0.527 -6.470 -1.765 1.00 0.00 C ATOM 1094 C GLN A 67 0.919 -6.017 -1.600 1.00 0.00 C ATOM 1095 O GLN A 67 1.579 -5.638 -2.568 1.00 0.00 O ATOM 1096 CB GLN A 67 -0.646 -7.449 -2.936 1.00 0.00 C ATOM 1097 CG GLN A 67 -2.074 -7.659 -3.411 1.00 0.00 C ATOM 1098 CD GLN A 67 -2.174 -8.693 -4.516 1.00 0.00 C ATOM 1099 OE1 GLN A 67 -1.328 -8.748 -5.409 1.00 0.00 O ATOM 1100 NE2 GLN A 67 -3.211 -9.520 -4.461 1.00 0.00 N ATOM 0 H GLN A 67 -1.198 -4.824 -2.864 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.853 -6.984 -0.861 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.046 -7.082 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.226 -8.410 -2.639 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.691 -7.972 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.478 -6.711 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.888 -9.439 -3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.330 -10.237 -5.177 1.00 0.00 H new ATOM 1109 N PHE A 68 1.396 -6.037 -0.363 1.00 0.00 N ATOM 1110 CA PHE A 68 2.755 -5.607 -0.054 1.00 0.00 C ATOM 1111 C PHE A 68 3.684 -6.767 0.270 1.00 0.00 C ATOM 1112 O PHE A 68 3.445 -7.552 1.189 1.00 0.00 O ATOM 1113 CB PHE A 68 2.755 -4.582 1.082 1.00 0.00 C ATOM 1114 CG PHE A 68 1.492 -4.561 1.890 1.00 0.00 C ATOM 1115 CD1 PHE A 68 1.100 -5.648 2.659 1.00 0.00 C ATOM 1116 CD2 PHE A 68 0.691 -3.435 1.867 1.00 0.00 C ATOM 1117 CE1 PHE A 68 -0.071 -5.601 3.389 1.00 0.00 C ATOM 1118 CE2 PHE A 68 -0.477 -3.385 2.590 1.00 0.00 C ATOM 1119 CZ PHE A 68 -0.859 -4.467 3.352 1.00 0.00 C ATOM 0 H PHE A 68 0.860 -6.348 0.447 1.00 0.00 H new ATOM 0 HA PHE A 68 3.145 -5.137 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.594 -4.791 1.745 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.921 -3.590 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.715 -6.536 2.686 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.987 -2.583 1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.370 -6.449 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.094 -2.499 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.776 -4.429 3.921 1.00 0.00 H new ATOM 1129 N PHE A 69 4.760 -6.839 -0.501 1.00 0.00 N ATOM 1130 CA PHE A 69 5.784 -7.863 -0.345 1.00 0.00 C ATOM 1131 C PHE A 69 7.088 -7.405 -0.989 1.00 0.00 C ATOM 1132 O PHE A 69 7.079 -6.584 -1.906 1.00 0.00 O ATOM 1133 CB PHE A 69 5.336 -9.186 -0.972 1.00 0.00 C ATOM 1134 CG PHE A 69 4.608 -10.098 -0.022 1.00 0.00 C ATOM 1135 CD1 PHE A 69 5.012 -10.216 1.300 1.00 0.00 C ATOM 1136 CD2 PHE A 69 3.523 -10.842 -0.454 1.00 0.00 C ATOM 1137 CE1 PHE A 69 4.346 -11.057 2.170 1.00 0.00 C ATOM 1138 CE2 PHE A 69 2.855 -11.687 0.411 1.00 0.00 C ATOM 1139 CZ PHE A 69 3.266 -11.794 1.725 1.00 0.00 C ATOM 0 H PHE A 69 4.949 -6.183 -1.259 1.00 0.00 H new ATOM 0 HA PHE A 69 5.944 -8.021 0.722 1.00 0.00 H new ATOM 0 HB2 PHE A 69 4.688 -8.972 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.211 -9.707 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.857 -9.644 1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.195 -10.761 -1.480 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.669 -11.138 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.012 -12.263 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.744 -12.453 2.403 1.00 0.00 H new ATOM 1149 N PRO A 70 8.231 -7.936 -0.530 1.00 0.00 N ATOM 1150 CA PRO A 70 9.538 -7.578 -1.082 1.00 0.00 C ATOM 1151 C PRO A 70 9.579 -7.739 -2.600 1.00 0.00 C ATOM 1152 O PRO A 70 9.451 -8.846 -3.122 1.00 0.00 O ATOM 1153 CB PRO A 70 10.508 -8.561 -0.406 1.00 0.00 C ATOM 1154 CG PRO A 70 9.646 -9.598 0.237 1.00 0.00 C ATOM 1155 CD PRO A 70 8.343 -8.925 0.548 1.00 0.00 C ATOM 0 HA PRO A 70 9.787 -6.533 -0.895 1.00 0.00 H new ATOM 0 HB2 PRO A 70 11.183 -9.009 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 70 11.128 -8.054 0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.496 -10.447 -0.430 1.00 0.00 H new ATOM 0 HG3 PRO A 70 10.111 -9.983 1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.511 -9.629 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 70 8.354 -8.454 1.531 1.00 0.00 H new ATOM 1163 N ALA A 71 9.748 -6.622 -3.300 1.00 0.00 N ATOM 1164 CA ALA A 71 9.796 -6.625 -4.758 1.00 0.00 C ATOM 1165 C ALA A 71 11.011 -7.385 -5.287 1.00 0.00 C ATOM 1166 O ALA A 71 11.072 -7.722 -6.469 1.00 0.00 O ATOM 1167 CB ALA A 71 9.798 -5.198 -5.285 1.00 0.00 C ATOM 0 H ALA A 71 9.854 -5.699 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 71 8.905 -7.141 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.834 -5.212 -6.374 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.891 -4.688 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.670 -4.669 -4.900 1.00 0.00 H new ATOM 1173 N SER A 72 11.977 -7.652 -4.413 1.00 0.00 N ATOM 1174 CA SER A 72 13.184 -8.369 -4.809 1.00 0.00 C ATOM 1175 C SER A 72 13.038 -9.870 -4.576 1.00 0.00 C ATOM 1176 O SER A 72 14.018 -10.561 -4.295 1.00 0.00 O ATOM 1177 CB SER A 72 14.394 -7.839 -4.036 1.00 0.00 C ATOM 1178 OG SER A 72 14.382 -6.423 -3.979 1.00 0.00 O ATOM 0 H SER A 72 11.948 -7.384 -3.429 1.00 0.00 H new ATOM 0 HA SER A 72 13.336 -8.202 -5.875 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.391 -8.247 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.313 -8.179 -4.514 1.00 0.00 H new ATOM 0 HG SER A 72 15.164 -6.109 -3.479 1.00 0.00 H new ATOM 1319 N PRO A 81 6.390 -12.186 5.594 1.00 0.00 N ATOM 1320 CA PRO A 81 6.242 -10.748 5.816 1.00 0.00 C ATOM 1321 C PRO A 81 7.554 -10.103 6.242 1.00 0.00 C ATOM 1322 O PRO A 81 7.936 -10.167 7.410 1.00 0.00 O ATOM 1323 CB PRO A 81 5.223 -10.683 6.949 1.00 0.00 C ATOM 1324 CG PRO A 81 5.473 -11.921 7.738 1.00 0.00 C ATOM 1325 CD PRO A 81 5.900 -12.973 6.744 1.00 0.00 C ATOM 0 HA PRO A 81 5.937 -10.214 4.916 1.00 0.00 H new ATOM 0 HB2 PRO A 81 5.360 -9.789 7.557 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.203 -10.654 6.566 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.247 -11.756 8.487 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.574 -12.231 8.271 1.00 0.00 H new ATOM 0 HD2 PRO A 81 6.680 -13.616 7.151 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.069 -13.619 6.462 1.00 0.00 H new ATOM 1333 N SER A 82 8.245 -9.483 5.291 1.00 0.00 N ATOM 1334 CA SER A 82 9.514 -8.833 5.581 1.00 0.00 C ATOM 1335 C SER A 82 9.289 -7.388 6.003 1.00 0.00 C ATOM 1336 O SER A 82 8.401 -6.712 5.483 1.00 0.00 O ATOM 1337 CB SER A 82 10.429 -8.885 4.357 1.00 0.00 C ATOM 1338 OG SER A 82 11.009 -10.171 4.208 1.00 0.00 O ATOM 0 H SER A 82 7.948 -9.418 4.317 1.00 0.00 H new ATOM 0 HA SER A 82 9.993 -9.366 6.402 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.859 -8.634 3.462 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.216 -8.137 4.455 1.00 0.00 H new ATOM 0 HG SER A 82 11.588 -10.179 3.418 1.00 0.00 H new ATOM 1344 N ARG A 83 10.105 -6.913 6.937 1.00 0.00 N ATOM 1345 CA ARG A 83 9.994 -5.538 7.417 1.00 0.00 C ATOM 1346 C ARG A 83 10.503 -4.551 6.365 1.00 0.00 C ATOM 1347 O ARG A 83 10.579 -3.348 6.618 1.00 0.00 O ATOM 1348 CB ARG A 83 10.757 -5.350 8.734 1.00 0.00 C ATOM 1349 CG ARG A 83 10.815 -6.598 9.604 1.00 0.00 C ATOM 1350 CD ARG A 83 10.331 -6.319 11.018 1.00 0.00 C ATOM 1351 NE ARG A 83 9.759 -7.509 11.645 1.00 0.00 N ATOM 1352 CZ ARG A 83 8.663 -8.124 11.208 1.00 0.00 C ATOM 1353 NH1 ARG A 83 8.012 -7.665 10.147 1.00 0.00 N ATOM 1354 NH2 ARG A 83 8.215 -9.203 11.836 1.00 0.00 N ATOM 0 H ARG A 83 10.848 -7.456 7.376 1.00 0.00 H new ATOM 0 HA ARG A 83 8.939 -5.336 7.601 1.00 0.00 H new ATOM 0 HB2 ARG A 83 11.774 -5.030 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.288 -4.546 9.301 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.203 -7.382 9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.838 -6.972 9.636 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.163 -5.956 11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.584 -5.526 10.996 1.00 0.00 H new ATOM 0 HE ARG A 83 10.228 -7.891 12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.351 -6.835 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.173 -8.142 9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 83 8.711 -9.560 12.653 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.375 -9.675 11.502 1.00 0.00 H new ATOM 1368 N GLU A 84 10.818 -5.059 5.173 1.00 0.00 N ATOM 1369 CA GLU A 84 11.278 -4.218 4.080 1.00 0.00 C ATOM 1370 C GLU A 84 10.082 -3.504 3.489 1.00 0.00 C ATOM 1371 O GLU A 84 10.156 -2.338 3.102 1.00 0.00 O ATOM 1372 CB GLU A 84 11.988 -5.061 3.015 1.00 0.00 C ATOM 1373 CG GLU A 84 13.454 -4.703 2.835 1.00 0.00 C ATOM 1374 CD GLU A 84 14.007 -5.164 1.500 1.00 0.00 C ATOM 1375 OE1 GLU A 84 13.601 -6.248 1.033 1.00 0.00 O ATOM 1376 OE2 GLU A 84 14.846 -4.441 0.923 1.00 0.00 O ATOM 0 H GLU A 84 10.761 -6.052 4.945 1.00 0.00 H new ATOM 0 HA GLU A 84 11.995 -3.486 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.910 -6.114 3.285 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.473 -4.938 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.574 -3.623 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.036 -5.153 3.640 1.00 0.00 H new ATOM 1383 N TYR A 85 8.968 -4.221 3.453 1.00 0.00 N ATOM 1384 CA TYR A 85 7.727 -3.685 2.946 1.00 0.00 C ATOM 1385 C TYR A 85 6.685 -3.700 4.051 1.00 0.00 C ATOM 1386 O TYR A 85 6.058 -2.687 4.338 1.00 0.00 O ATOM 1387 CB TYR A 85 7.249 -4.488 1.741 1.00 0.00 C ATOM 1388 CG TYR A 85 8.008 -4.160 0.480 1.00 0.00 C ATOM 1389 CD1 TYR A 85 9.393 -4.059 0.491 1.00 0.00 C ATOM 1390 CD2 TYR A 85 7.344 -3.946 -0.720 1.00 0.00 C ATOM 1391 CE1 TYR A 85 10.097 -3.754 -0.659 1.00 0.00 C ATOM 1392 CE2 TYR A 85 8.039 -3.642 -1.875 1.00 0.00 C ATOM 1393 CZ TYR A 85 9.414 -3.547 -1.839 1.00 0.00 C ATOM 1394 OH TYR A 85 10.110 -3.245 -2.987 1.00 0.00 O ATOM 0 H TYR A 85 8.906 -5.187 3.775 1.00 0.00 H new ATOM 0 HA TYR A 85 7.885 -2.657 2.619 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.352 -5.552 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.188 -4.297 1.581 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.930 -4.222 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.267 -4.018 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.174 -3.678 -0.633 1.00 0.00 H new ATOM 0 HE2 TYR A 85 7.508 -3.480 -2.801 1.00 0.00 H new ATOM 0 HH TYR A 85 10.997 -3.660 -2.951 1.00 0.00 H new ATOM 1404 N VAL A 86 6.533 -4.851 4.699 1.00 0.00 N ATOM 1405 CA VAL A 86 5.590 -4.982 5.795 1.00 0.00 C ATOM 1406 C VAL A 86 6.327 -5.230 7.103 1.00 0.00 C ATOM 1407 O VAL A 86 6.885 -6.304 7.326 1.00 0.00 O ATOM 1408 CB VAL A 86 4.585 -6.121 5.560 1.00 0.00 C ATOM 1409 CG1 VAL A 86 3.502 -5.691 4.583 1.00 0.00 C ATOM 1410 CG2 VAL A 86 5.285 -7.378 5.069 1.00 0.00 C ATOM 0 H VAL A 86 7.051 -5.702 4.482 1.00 0.00 H new ATOM 0 HA VAL A 86 5.037 -4.044 5.851 1.00 0.00 H new ATOM 0 HB VAL A 86 4.113 -6.352 6.515 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.802 -6.512 4.431 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.969 -4.830 4.986 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.958 -5.422 3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 86 4.549 -8.166 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.797 -7.166 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.012 -7.704 5.813 1.00 0.00 H new ATOM 1420 N ASP A 87 6.330 -4.222 7.960 1.00 0.00 N ATOM 1421 CA ASP A 87 7.004 -4.309 9.246 1.00 0.00 C ATOM 1422 C ASP A 87 6.060 -4.795 10.335 1.00 0.00 C ATOM 1423 O ASP A 87 4.859 -4.522 10.306 1.00 0.00 O ATOM 1424 CB ASP A 87 7.591 -2.951 9.632 1.00 0.00 C ATOM 1425 CG ASP A 87 8.408 -3.017 10.908 1.00 0.00 C ATOM 1426 OD1 ASP A 87 7.802 -3.054 11.999 1.00 0.00 O ATOM 1427 OD2 ASP A 87 9.654 -3.030 10.816 1.00 0.00 O ATOM 0 H ASP A 87 5.870 -3.328 7.787 1.00 0.00 H new ATOM 0 HA ASP A 87 7.812 -5.034 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.219 -2.586 8.820 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.782 -2.231 9.758 1.00 0.00 H new ATOM 1515 N GLY A 93 3.939 2.481 17.840 1.00 0.00 N ATOM 1516 CA GLY A 93 2.764 1.940 18.501 1.00 0.00 C ATOM 1517 C GLY A 93 1.753 1.377 17.516 1.00 0.00 C ATOM 1518 O GLY A 93 0.620 1.069 17.886 1.00 0.00 O ATOM 0 HA2 GLY A 93 3.069 1.155 19.193 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.292 2.723 19.095 1.00 0.00 H new ATOM 1522 N LYS A 94 2.166 1.247 16.258 1.00 0.00 N ATOM 1523 CA LYS A 94 1.304 0.725 15.205 1.00 0.00 C ATOM 1524 C LYS A 94 2.143 -0.031 14.176 1.00 0.00 C ATOM 1525 O LYS A 94 3.368 -0.080 14.283 1.00 0.00 O ATOM 1526 CB LYS A 94 0.539 1.864 14.522 1.00 0.00 C ATOM 1527 CG LYS A 94 0.254 3.051 15.433 1.00 0.00 C ATOM 1528 CD LYS A 94 1.432 4.009 15.492 1.00 0.00 C ATOM 1529 CE LYS A 94 1.424 4.824 16.777 1.00 0.00 C ATOM 1530 NZ LYS A 94 0.058 5.307 17.121 1.00 0.00 N ATOM 0 H LYS A 94 3.103 1.499 15.942 1.00 0.00 H new ATOM 0 HA LYS A 94 0.582 0.042 15.652 1.00 0.00 H new ATOM 0 HB2 LYS A 94 1.113 2.209 13.662 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.406 1.476 14.141 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.629 3.581 15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.025 2.693 16.437 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.363 3.447 15.422 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.400 4.680 14.634 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.810 4.216 17.595 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.094 5.677 16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.126 6.066 17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.407 5.672 16.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.501 4.521 17.510 1.00 0.00 H new ATOM 1544 N VAL A 95 1.487 -0.618 13.180 1.00 0.00 N ATOM 1545 CA VAL A 95 2.195 -1.365 12.141 1.00 0.00 C ATOM 1546 C VAL A 95 1.963 -0.749 10.763 1.00 0.00 C ATOM 1547 O VAL A 95 0.826 -0.495 10.372 1.00 0.00 O ATOM 1548 CB VAL A 95 1.771 -2.851 12.120 1.00 0.00 C ATOM 1549 CG1 VAL A 95 0.265 -2.984 12.291 1.00 0.00 C ATOM 1550 CG2 VAL A 95 2.231 -3.530 10.835 1.00 0.00 C ATOM 0 H VAL A 95 0.473 -0.593 13.069 1.00 0.00 H new ATOM 0 HA VAL A 95 3.257 -1.310 12.381 1.00 0.00 H new ATOM 0 HB VAL A 95 2.255 -3.352 12.958 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -0.012 -4.038 12.273 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.033 -2.547 13.244 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.241 -2.462 11.478 1.00 0.00 H new ATOM 0 HG21 VAL A 95 1.921 -4.575 10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.785 -3.026 9.978 1.00 0.00 H new ATOM 0 HG23 VAL A 95 3.317 -3.475 10.763 1.00 0.00 H new ATOM 1560 N TYR A 96 3.054 -0.525 10.030 1.00 0.00 N ATOM 1561 CA TYR A 96 2.975 0.052 8.687 1.00 0.00 C ATOM 1562 C TYR A 96 3.584 -0.861 7.629 1.00 0.00 C ATOM 1563 O TYR A 96 4.522 -1.610 7.898 1.00 0.00 O ATOM 1564 CB TYR A 96 3.640 1.438 8.613 1.00 0.00 C ATOM 1565 CG TYR A 96 4.612 1.763 9.734 1.00 0.00 C ATOM 1566 CD1 TYR A 96 5.549 0.841 10.191 1.00 0.00 C ATOM 1567 CD2 TYR A 96 4.588 3.017 10.329 1.00 0.00 C ATOM 1568 CE1 TYR A 96 6.428 1.164 11.209 1.00 0.00 C ATOM 1569 CE2 TYR A 96 5.460 3.347 11.344 1.00 0.00 C ATOM 1570 CZ TYR A 96 6.379 2.417 11.782 1.00 0.00 C ATOM 1571 OH TYR A 96 7.251 2.743 12.796 1.00 0.00 O ATOM 0 H TYR A 96 4.002 -0.734 10.343 1.00 0.00 H new ATOM 0 HA TYR A 96 1.911 0.163 8.476 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.170 1.516 7.664 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.857 2.196 8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.590 -0.141 9.744 1.00 0.00 H new ATOM 0 HD2 TYR A 96 3.871 3.750 9.989 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.149 0.438 11.553 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.424 4.328 11.794 1.00 0.00 H new ATOM 0 HH TYR A 96 7.084 3.664 13.087 1.00 0.00 H new ATOM 1581 N LEU A 97 3.040 -0.773 6.416 1.00 0.00 N ATOM 1582 CA LEU A 97 3.522 -1.572 5.296 1.00 0.00 C ATOM 1583 C LEU A 97 3.539 -0.749 4.008 1.00 0.00 C ATOM 1584 O LEU A 97 2.859 0.273 3.900 1.00 0.00 O ATOM 1585 CB LEU A 97 2.670 -2.833 5.111 1.00 0.00 C ATOM 1586 CG LEU A 97 1.172 -2.667 5.387 1.00 0.00 C ATOM 1587 CD1 LEU A 97 0.906 -2.451 6.871 1.00 0.00 C ATOM 1588 CD2 LEU A 97 0.611 -1.516 4.575 1.00 0.00 C ATOM 0 H LEU A 97 2.263 -0.154 6.186 1.00 0.00 H new ATOM 0 HA LEU A 97 4.543 -1.880 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.795 -3.188 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 97 3.058 -3.611 5.768 1.00 0.00 H new ATOM 0 HG LEU A 97 0.670 -3.587 5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.165 -2.336 7.036 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.270 -3.310 7.435 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.423 -1.552 7.206 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.454 -1.410 4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.126 -0.595 4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.757 -1.715 3.513 1.00 0.00 H new ATOM 1600 N LYS A 98 4.330 -1.202 3.039 1.00 0.00 N ATOM 1601 CA LYS A 98 4.459 -0.521 1.755 1.00 0.00 C ATOM 1602 C LYS A 98 4.148 -1.477 0.610 1.00 0.00 C ATOM 1603 O LYS A 98 4.755 -2.542 0.501 1.00 0.00 O ATOM 1604 CB LYS A 98 5.880 0.023 1.596 1.00 0.00 C ATOM 1605 CG LYS A 98 6.020 1.051 0.486 1.00 0.00 C ATOM 1606 CD LYS A 98 7.450 1.125 -0.026 1.00 0.00 C ATOM 1607 CE LYS A 98 8.406 1.612 1.052 1.00 0.00 C ATOM 1608 NZ LYS A 98 9.186 2.801 0.608 1.00 0.00 N ATOM 0 H LYS A 98 4.896 -2.046 3.121 1.00 0.00 H new ATOM 0 HA LYS A 98 3.748 0.305 1.728 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.195 0.473 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.557 -0.808 1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.351 0.795 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.713 2.030 0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 98 7.764 0.141 -0.374 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.496 1.796 -0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.842 1.863 1.951 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.091 0.808 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.684 3.214 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.879 2.512 -0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.540 3.508 0.202 1.00 0.00 H new ATOM 1622 N ALA A 99 3.201 -1.096 -0.242 1.00 0.00 N ATOM 1623 CA ALA A 99 2.818 -1.934 -1.371 1.00 0.00 C ATOM 1624 C ALA A 99 2.898 -1.174 -2.693 1.00 0.00 C ATOM 1625 O ALA A 99 2.495 -0.013 -2.775 1.00 0.00 O ATOM 1626 CB ALA A 99 1.411 -2.475 -1.167 1.00 0.00 C ATOM 0 H ALA A 99 2.688 -0.217 -0.172 1.00 0.00 H new ATOM 0 HA ALA A 99 3.523 -2.764 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 99 1.135 -3.100 -2.016 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.378 -3.069 -0.254 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.710 -1.644 -1.085 1.00 0.00 H new ATOM 1632 N PRO A 100 3.407 -1.825 -3.754 1.00 0.00 N ATOM 1633 CA PRO A 100 3.522 -1.222 -5.071 1.00 0.00 C ATOM 1634 C PRO A 100 2.283 -1.498 -5.918 1.00 0.00 C ATOM 1635 O PRO A 100 1.900 -2.652 -6.108 1.00 0.00 O ATOM 1636 CB PRO A 100 4.749 -1.926 -5.653 1.00 0.00 C ATOM 1637 CG PRO A 100 4.813 -3.262 -4.970 1.00 0.00 C ATOM 1638 CD PRO A 100 3.902 -3.210 -3.764 1.00 0.00 C ATOM 0 HA PRO A 100 3.613 -0.136 -5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 100 4.658 -2.042 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.655 -1.349 -5.470 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.501 -4.054 -5.651 1.00 0.00 H new ATOM 0 HG3 PRO A 100 5.835 -3.487 -4.667 1.00 0.00 H new ATOM 0 HD2 PRO A 100 3.084 -3.926 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.440 -3.449 -2.846 1.00 0.00 H new ATOM 1646 N MET A 101 1.648 -0.439 -6.410 1.00 0.00 N ATOM 1647 CA MET A 101 0.442 -0.589 -7.217 1.00 0.00 C ATOM 1648 C MET A 101 0.509 0.253 -8.483 1.00 0.00 C ATOM 1649 O MET A 101 1.388 1.102 -8.634 1.00 0.00 O ATOM 1650 CB MET A 101 -0.791 -0.186 -6.405 1.00 0.00 C ATOM 1651 CG MET A 101 -1.294 -1.276 -5.473 1.00 0.00 C ATOM 1652 SD MET A 101 -3.094 -1.395 -5.444 1.00 0.00 S ATOM 1653 CE MET A 101 -3.540 0.235 -4.848 1.00 0.00 C ATOM 0 H MET A 101 1.946 0.526 -6.266 1.00 0.00 H new ATOM 0 HA MET A 101 0.368 -1.638 -7.504 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.554 0.701 -5.817 1.00 0.00 H new ATOM 0 HB3 MET A 101 -1.592 0.091 -7.091 1.00 0.00 H new ATOM 0 HG2 MET A 101 -0.876 -2.234 -5.783 1.00 0.00 H new ATOM 0 HG3 MET A 101 -0.931 -1.081 -4.464 1.00 0.00 H new ATOM 0 HE1 MET A 101 -4.254 0.140 -4.030 1.00 0.00 H new ATOM 0 HE2 MET A 101 -2.647 0.749 -4.493 1.00 0.00 H new ATOM 0 HE3 MET A 101 -3.991 0.808 -5.658 1.00 0.00 H new ATOM 1663 N ILE A 102 -0.440 0.019 -9.381 1.00 0.00 N ATOM 1664 CA ILE A 102 -0.511 0.762 -10.630 1.00 0.00 C ATOM 1665 C ILE A 102 -1.680 1.739 -10.597 1.00 0.00 C ATOM 1666 O ILE A 102 -2.840 1.344 -10.717 1.00 0.00 O ATOM 1667 CB ILE A 102 -0.663 -0.182 -11.843 1.00 0.00 C ATOM 1668 CG1 ILE A 102 0.563 -1.091 -11.963 1.00 0.00 C ATOM 1669 CG2 ILE A 102 -0.865 0.616 -13.126 1.00 0.00 C ATOM 1670 CD1 ILE A 102 1.824 -0.358 -12.372 1.00 0.00 C ATOM 0 H ILE A 102 -1.172 -0.682 -9.266 1.00 0.00 H new ATOM 0 HA ILE A 102 0.424 1.312 -10.738 1.00 0.00 H new ATOM 0 HB ILE A 102 -1.545 -0.804 -11.688 1.00 0.00 H new ATOM 0 HG12 ILE A 102 0.734 -1.585 -11.006 1.00 0.00 H new ATOM 0 HG13 ILE A 102 0.355 -1.873 -12.693 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -0.970 -0.069 -13.968 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.766 1.224 -13.038 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -0.004 1.264 -13.291 1.00 0.00 H new ATOM 0 HD11 ILE A 102 2.651 -1.065 -12.437 1.00 0.00 H new ATOM 0 HD12 ILE A 102 1.672 0.113 -13.343 1.00 0.00 H new ATOM 0 HD13 ILE A 102 2.057 0.406 -11.631 1.00 0.00 H new ATOM 1682 N LEU A 103 -1.363 3.016 -10.438 1.00 0.00 N ATOM 1683 CA LEU A 103 -2.379 4.060 -10.392 1.00 0.00 C ATOM 1684 C LEU A 103 -2.379 4.843 -11.695 1.00 0.00 C ATOM 1685 O LEU A 103 -1.349 4.953 -12.339 1.00 0.00 O ATOM 1686 CB LEU A 103 -2.136 4.998 -9.210 1.00 0.00 C ATOM 1687 CG LEU A 103 -2.739 4.535 -7.882 1.00 0.00 C ATOM 1688 CD1 LEU A 103 -2.472 5.558 -6.789 1.00 0.00 C ATOM 1689 CD2 LEU A 103 -4.232 4.291 -8.033 1.00 0.00 C ATOM 0 H LEU A 103 -0.406 3.356 -10.338 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.354 3.590 -10.261 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.061 5.123 -9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.543 5.979 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 103 -2.264 3.597 -7.596 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.908 5.212 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.397 5.684 -6.664 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.920 6.512 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.645 3.962 -7.079 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.722 5.214 -8.342 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -4.401 3.521 -8.786 1.00 0.00 H new ATOM 1701 N ASN A 104 -3.541 5.370 -12.077 1.00 0.00 N ATOM 1702 CA ASN A 104 -3.705 6.141 -13.322 1.00 0.00 C ATOM 1703 C ASN A 104 -2.420 6.237 -14.154 1.00 0.00 C ATOM 1704 O ASN A 104 -1.671 7.209 -14.050 1.00 0.00 O ATOM 1705 CB ASN A 104 -4.183 7.551 -12.985 1.00 0.00 C ATOM 1706 CG ASN A 104 -4.789 8.260 -14.181 1.00 0.00 C ATOM 1707 OD1 ASN A 104 -4.243 8.219 -15.283 1.00 0.00 O ATOM 1708 ND2 ASN A 104 -5.924 8.914 -13.967 1.00 0.00 N ATOM 0 H ASN A 104 -4.401 5.278 -11.536 1.00 0.00 H new ATOM 0 HA ASN A 104 -4.439 5.607 -13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -4.921 7.499 -12.185 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -3.344 8.135 -12.607 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.379 9.410 -14.733 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.341 8.921 -13.036 1.00 0.00 H new ATOM 1715 N GLY A 105 -2.188 5.221 -14.992 1.00 0.00 N ATOM 1716 CA GLY A 105 -1.012 5.190 -15.859 1.00 0.00 C ATOM 1717 C GLY A 105 0.248 5.724 -15.198 1.00 0.00 C ATOM 1718 O GLY A 105 0.915 6.601 -15.746 1.00 0.00 O ATOM 0 H GLY A 105 -2.801 4.411 -15.086 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -0.836 4.164 -16.181 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.217 5.775 -16.756 1.00 0.00 H new ATOM 1722 N VAL A 106 0.563 5.198 -14.021 1.00 0.00 N ATOM 1723 CA VAL A 106 1.734 5.621 -13.269 1.00 0.00 C ATOM 1724 C VAL A 106 2.078 4.589 -12.199 1.00 0.00 C ATOM 1725 O VAL A 106 1.191 3.958 -11.626 1.00 0.00 O ATOM 1726 CB VAL A 106 1.488 6.987 -12.584 1.00 0.00 C ATOM 1727 CG1 VAL A 106 2.579 7.298 -11.567 1.00 0.00 C ATOM 1728 CG2 VAL A 106 1.390 8.096 -13.617 1.00 0.00 C ATOM 0 H VAL A 106 0.015 4.469 -13.564 1.00 0.00 H new ATOM 0 HA VAL A 106 2.562 5.716 -13.972 1.00 0.00 H new ATOM 0 HB VAL A 106 0.539 6.926 -12.051 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.379 8.264 -11.103 1.00 0.00 H new ATOM 0 HG12 VAL A 106 2.594 6.523 -10.801 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.546 7.330 -12.069 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.217 9.047 -13.114 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.320 8.149 -14.183 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.563 7.889 -14.296 1.00 0.00 H new ATOM 1738 N CYS A 107 3.366 4.436 -11.919 1.00 0.00 N ATOM 1739 CA CYS A 107 3.809 3.497 -10.898 1.00 0.00 C ATOM 1740 C CYS A 107 3.758 4.172 -9.536 1.00 0.00 C ATOM 1741 O CYS A 107 4.461 5.155 -9.296 1.00 0.00 O ATOM 1742 CB CYS A 107 5.225 3.003 -11.197 1.00 0.00 C ATOM 1743 SG CYS A 107 5.585 1.356 -10.546 1.00 0.00 S ATOM 0 H CYS A 107 4.118 4.947 -12.382 1.00 0.00 H new ATOM 0 HA CYS A 107 3.145 2.633 -10.897 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.375 2.996 -12.277 1.00 0.00 H new ATOM 0 HB3 CYS A 107 5.941 3.711 -10.780 1.00 0.00 H new ATOM 0 HG CYS A 107 6.805 1.026 -10.852 1.00 0.00 H new ATOM 1749 N VAL A 108 2.904 3.667 -8.655 1.00 0.00 N ATOM 1750 CA VAL A 108 2.748 4.256 -7.334 1.00 0.00 C ATOM 1751 C VAL A 108 3.032 3.255 -6.223 1.00 0.00 C ATOM 1752 O VAL A 108 2.938 2.043 -6.419 1.00 0.00 O ATOM 1753 CB VAL A 108 1.327 4.823 -7.156 1.00 0.00 C ATOM 1754 CG1 VAL A 108 1.061 5.912 -8.186 1.00 0.00 C ATOM 1755 CG2 VAL A 108 0.288 3.714 -7.266 1.00 0.00 C ATOM 0 H VAL A 108 2.312 2.855 -8.831 1.00 0.00 H new ATOM 0 HA VAL A 108 3.478 5.062 -7.261 1.00 0.00 H new ATOM 0 HB VAL A 108 1.251 5.261 -6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.053 6.304 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.784 6.718 -8.059 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.155 5.495 -9.189 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.709 4.135 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.360 3.244 -8.247 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.469 2.968 -6.492 1.00 0.00 H new ATOM 1765 N ILE A 109 3.371 3.780 -5.053 1.00 0.00 N ATOM 1766 CA ILE A 109 3.664 2.952 -3.893 1.00 0.00 C ATOM 1767 C ILE A 109 2.915 3.468 -2.671 1.00 0.00 C ATOM 1768 O ILE A 109 3.276 4.495 -2.097 1.00 0.00 O ATOM 1769 CB ILE A 109 5.173 2.928 -3.580 1.00 0.00 C ATOM 1770 CG1 ILE A 109 5.982 2.760 -4.869 1.00 0.00 C ATOM 1771 CG2 ILE A 109 5.493 1.814 -2.595 1.00 0.00 C ATOM 1772 CD1 ILE A 109 7.477 2.714 -4.641 1.00 0.00 C ATOM 0 H ILE A 109 3.450 4.783 -4.883 1.00 0.00 H new ATOM 0 HA ILE A 109 3.339 1.939 -4.129 1.00 0.00 H new ATOM 0 HB ILE A 109 5.449 3.878 -3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.670 1.842 -5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.750 3.584 -5.544 1.00 0.00 H new ATOM 0 HG21 ILE A 109 6.562 1.811 -2.384 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.941 1.977 -1.669 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.205 0.855 -3.025 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.987 2.594 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.802 3.642 -4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.720 1.873 -3.991 1.00 0.00 H new ATOM 1784 N TRP A 110 1.868 2.754 -2.283 1.00 0.00 N ATOM 1785 CA TRP A 110 1.064 3.145 -1.133 1.00 0.00 C ATOM 1786 C TRP A 110 1.563 2.464 0.135 1.00 0.00 C ATOM 1787 O TRP A 110 1.882 1.275 0.132 1.00 0.00 O ATOM 1788 CB TRP A 110 -0.407 2.798 -1.375 1.00 0.00 C ATOM 1789 CG TRP A 110 -1.282 3.001 -0.173 1.00 0.00 C ATOM 1790 CD1 TRP A 110 -2.125 4.051 0.060 1.00 0.00 C ATOM 1791 CD2 TRP A 110 -1.400 2.133 0.960 1.00 0.00 C ATOM 1792 NE1 TRP A 110 -2.759 3.888 1.268 1.00 0.00 N ATOM 1793 CE2 TRP A 110 -2.331 2.717 1.841 1.00 0.00 C ATOM 1794 CE3 TRP A 110 -0.809 0.916 1.315 1.00 0.00 C ATOM 1795 CZ2 TRP A 110 -2.682 2.124 3.053 1.00 0.00 C ATOM 1796 CZ3 TRP A 110 -1.157 0.332 2.515 1.00 0.00 C ATOM 1797 CH2 TRP A 110 -2.086 0.934 3.372 1.00 0.00 C ATOM 0 H TRP A 110 1.555 1.901 -2.747 1.00 0.00 H new ATOM 0 HA TRP A 110 1.157 4.223 -1.001 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -0.785 3.409 -2.195 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -0.478 1.758 -1.693 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -2.272 4.887 -0.608 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -3.438 4.533 1.673 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -0.092 0.442 0.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -3.398 2.587 3.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.705 -0.607 2.799 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -2.337 0.449 4.304 1.00 0.00 H new ATOM 1808 N LYS A 111 1.621 3.227 1.218 1.00 0.00 N ATOM 1809 CA LYS A 111 2.070 2.705 2.499 1.00 0.00 C ATOM 1810 C LYS A 111 1.392 3.447 3.643 1.00 0.00 C ATOM 1811 O LYS A 111 0.956 4.586 3.482 1.00 0.00 O ATOM 1812 CB LYS A 111 3.591 2.821 2.627 1.00 0.00 C ATOM 1813 CG LYS A 111 4.091 4.255 2.663 1.00 0.00 C ATOM 1814 CD LYS A 111 4.107 4.874 1.275 1.00 0.00 C ATOM 1815 CE LYS A 111 5.389 5.652 1.023 1.00 0.00 C ATOM 1816 NZ LYS A 111 6.276 4.960 0.049 1.00 0.00 N ATOM 0 H LYS A 111 1.361 4.213 1.233 1.00 0.00 H new ATOM 0 HA LYS A 111 1.796 1.651 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 111 3.911 2.311 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 111 4.058 2.303 1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 111 3.454 4.847 3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 111 5.095 4.281 3.086 1.00 0.00 H new ATOM 0 HD2 LYS A 111 4.004 4.090 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 111 3.250 5.538 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 111 5.143 6.645 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 111 5.921 5.790 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 7.053 5.595 -0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 6.668 4.101 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 5.728 4.700 -0.796 1.00 0.00 H new ATOM 1830 N GLY A 112 1.303 2.795 4.794 1.00 0.00 N ATOM 1831 CA GLY A 112 0.671 3.415 5.941 1.00 0.00 C ATOM 1832 C GLY A 112 0.606 2.486 7.130 1.00 0.00 C ATOM 1833 O GLY A 112 0.772 1.275 6.985 1.00 0.00 O ATOM 0 H GLY A 112 1.656 1.851 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 112 1.222 4.314 6.215 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -0.338 3.729 5.672 1.00 0.00 H new ATOM 1837 N TRP A 113 0.366 3.048 8.309 1.00 0.00 N ATOM 1838 CA TRP A 113 0.284 2.245 9.520 1.00 0.00 C ATOM 1839 C TRP A 113 -1.131 2.215 10.080 1.00 0.00 C ATOM 1840 O TRP A 113 -1.935 3.114 9.831 1.00 0.00 O ATOM 1841 CB TRP A 113 1.247 2.768 10.590 1.00 0.00 C ATOM 1842 CG TRP A 113 1.069 4.221 10.906 1.00 0.00 C ATOM 1843 CD1 TRP A 113 1.773 5.267 10.383 1.00 0.00 C ATOM 1844 CD2 TRP A 113 0.134 4.786 11.829 1.00 0.00 C ATOM 1845 NE1 TRP A 113 1.321 6.451 10.916 1.00 0.00 N ATOM 1846 CE2 TRP A 113 0.317 6.181 11.809 1.00 0.00 C ATOM 1847 CE3 TRP A 113 -0.844 4.246 12.669 1.00 0.00 C ATOM 1848 CZ2 TRP A 113 -0.442 7.042 12.598 1.00 0.00 C ATOM 1849 CZ3 TRP A 113 -1.595 5.102 13.450 1.00 0.00 C ATOM 1850 CH2 TRP A 113 -1.391 6.485 13.410 1.00 0.00 C ATOM 0 H TRP A 113 0.226 4.048 8.451 1.00 0.00 H new ATOM 0 HA TRP A 113 0.569 1.229 9.247 1.00 0.00 H new ATOM 0 HB2 TRP A 113 1.111 2.188 11.503 1.00 0.00 H new ATOM 0 HB3 TRP A 113 2.271 2.601 10.256 1.00 0.00 H new ATOM 0 HD1 TRP A 113 2.568 5.178 9.657 1.00 0.00 H new ATOM 0 HE1 TRP A 113 1.675 7.379 10.685 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -1.009 3.179 12.706 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -0.287 8.110 12.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -2.353 4.696 14.103 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -1.996 7.127 14.034 1.00 0.00 H new ATOM 1861 N ILE A 114 -1.409 1.177 10.858 1.00 0.00 N ATOM 1862 CA ILE A 114 -2.708 1.008 11.493 1.00 0.00 C ATOM 1863 C ILE A 114 -2.513 0.833 12.988 1.00 0.00 C ATOM 1864 O ILE A 114 -1.571 0.164 13.415 1.00 0.00 O ATOM 1865 CB ILE A 114 -3.477 -0.218 10.948 1.00 0.00 C ATOM 1866 CG1 ILE A 114 -3.175 -0.452 9.465 1.00 0.00 C ATOM 1867 CG2 ILE A 114 -4.973 -0.036 11.160 1.00 0.00 C ATOM 1868 CD1 ILE A 114 -3.372 0.776 8.602 1.00 0.00 C ATOM 0 H ILE A 114 -0.744 0.432 11.066 1.00 0.00 H new ATOM 0 HA ILE A 114 -3.297 1.898 11.272 1.00 0.00 H new ATOM 0 HB ILE A 114 -3.143 -1.097 11.500 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.146 -0.795 9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -3.816 -1.252 9.095 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -5.504 -0.905 10.772 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -5.179 0.070 12.225 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -5.309 0.858 10.635 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.139 0.533 7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -4.408 1.108 8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.711 1.572 8.945 1.00 0.00 H new ATOM 1880 N ASP A 115 -3.394 1.421 13.787 1.00 0.00 N ATOM 1881 CA ASP A 115 -3.272 1.306 15.230 1.00 0.00 C ATOM 1882 C ASP A 115 -3.937 0.018 15.708 1.00 0.00 C ATOM 1883 O ASP A 115 -5.044 -0.323 15.287 1.00 0.00 O ATOM 1884 CB ASP A 115 -3.864 2.541 15.920 1.00 0.00 C ATOM 1885 CG ASP A 115 -5.334 2.394 16.244 1.00 0.00 C ATOM 1886 OD1 ASP A 115 -5.662 1.550 17.098 1.00 0.00 O ATOM 1887 OD2 ASP A 115 -6.155 3.122 15.647 1.00 0.00 O ATOM 0 H ASP A 115 -4.188 1.974 13.465 1.00 0.00 H new ATOM 0 HA ASP A 115 -2.217 1.259 15.498 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -3.313 2.734 16.840 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -3.725 3.410 15.277 1.00 0.00 H new ATOM 1892 N LEU A 116 -3.221 -0.713 16.554 1.00 0.00 N ATOM 1893 CA LEU A 116 -3.683 -2.001 17.063 1.00 0.00 C ATOM 1894 C LEU A 116 -4.791 -1.889 18.114 1.00 0.00 C ATOM 1895 O LEU A 116 -5.144 -2.889 18.740 1.00 0.00 O ATOM 1896 CB LEU A 116 -2.494 -2.774 17.636 1.00 0.00 C ATOM 1897 CG LEU A 116 -1.223 -2.726 16.778 1.00 0.00 C ATOM 1898 CD1 LEU A 116 0.019 -2.637 17.656 1.00 0.00 C ATOM 1899 CD2 LEU A 116 -1.150 -3.938 15.859 1.00 0.00 C ATOM 0 H LEU A 116 -2.306 -0.432 16.906 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.121 -2.534 16.219 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.263 -2.378 18.625 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.786 -3.816 17.770 1.00 0.00 H new ATOM 0 HG LEU A 116 -1.263 -1.830 16.158 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.908 -2.604 17.026 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.029 -1.733 18.264 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.068 -3.510 18.307 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.242 -3.885 15.259 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.137 -4.849 16.458 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.019 -3.949 15.201 1.00 0.00 H new ATOM 1911 N HIS A 117 -5.359 -0.700 18.304 1.00 0.00 N ATOM 1912 CA HIS A 117 -6.438 -0.539 19.278 1.00 0.00 C ATOM 1913 C HIS A 117 -7.747 -0.169 18.584 1.00 0.00 C ATOM 1914 O HIS A 117 -8.707 -0.939 18.596 1.00 0.00 O ATOM 1915 CB HIS A 117 -6.085 0.508 20.344 1.00 0.00 C ATOM 1916 CG HIS A 117 -5.263 1.657 19.845 1.00 0.00 C ATOM 1917 ND1 HIS A 117 -5.678 2.970 19.932 1.00 0.00 N ATOM 1918 CD2 HIS A 117 -4.035 1.691 19.274 1.00 0.00 C ATOM 1919 CE1 HIS A 117 -4.743 3.760 19.436 1.00 0.00 C ATOM 1920 NE2 HIS A 117 -3.736 3.010 19.032 1.00 0.00 N ATOM 0 H HIS A 117 -5.097 0.152 17.807 1.00 0.00 H new ATOM 0 HA HIS A 117 -6.568 -1.498 19.780 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -7.009 0.898 20.770 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -5.544 0.016 21.152 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -3.408 0.840 19.051 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -4.794 4.837 19.372 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -2.874 3.354 18.608 1.00 0.00 H new ATOM 1929 N ARG A 118 -7.772 1.006 17.972 1.00 0.00 N ATOM 1930 CA ARG A 118 -8.956 1.477 17.257 1.00 0.00 C ATOM 1931 C ARG A 118 -8.948 1.013 15.797 1.00 0.00 C ATOM 1932 O ARG A 118 -9.937 1.179 15.084 1.00 0.00 O ATOM 1933 CB ARG A 118 -9.081 3.012 17.310 1.00 0.00 C ATOM 1934 CG ARG A 118 -7.957 3.726 18.049 1.00 0.00 C ATOM 1935 CD ARG A 118 -7.996 5.224 17.797 1.00 0.00 C ATOM 1936 NE ARG A 118 -7.545 5.991 18.957 1.00 0.00 N ATOM 1937 CZ ARG A 118 -7.136 7.257 18.895 1.00 0.00 C ATOM 1938 NH1 ARG A 118 -7.118 7.900 17.734 1.00 0.00 N ATOM 1939 NH2 ARG A 118 -6.746 7.883 19.998 1.00 0.00 N ATOM 0 H ARG A 118 -6.985 1.655 17.955 1.00 0.00 H new ATOM 0 HA ARG A 118 -9.819 1.041 17.761 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -9.124 3.393 16.290 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -10.028 3.268 17.786 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -8.041 3.532 19.118 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -6.995 3.326 17.727 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -7.368 5.463 16.939 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -9.013 5.521 17.540 1.00 0.00 H new ATOM 0 HE ARG A 118 -7.543 5.530 19.867 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -7.418 7.425 16.883 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -6.804 8.870 17.693 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -6.759 7.395 20.893 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -6.433 8.853 19.950 1.00 0.00 H new ATOM 1953 N LEU A 119 -7.830 0.433 15.352 1.00 0.00 N ATOM 1954 CA LEU A 119 -7.714 -0.043 13.976 1.00 0.00 C ATOM 1955 C LEU A 119 -7.736 1.114 12.985 1.00 0.00 C ATOM 1956 O LEU A 119 -8.198 0.981 11.849 1.00 0.00 O ATOM 1957 CB LEU A 119 -8.832 -1.023 13.663 1.00 0.00 C ATOM 1958 CG LEU A 119 -8.377 -2.467 13.465 1.00 0.00 C ATOM 1959 CD1 LEU A 119 -9.554 -3.353 13.090 1.00 0.00 C ATOM 1960 CD2 LEU A 119 -7.287 -2.537 12.403 1.00 0.00 C ATOM 0 H LEU A 119 -6.998 0.283 15.923 1.00 0.00 H new ATOM 0 HA LEU A 119 -6.755 -0.552 13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -9.560 -0.994 14.474 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -9.346 -0.691 12.761 1.00 0.00 H new ATOM 0 HG LEU A 119 -7.965 -2.833 14.405 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -9.209 -4.378 12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -10.299 -3.324 13.885 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -9.999 -2.993 12.162 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.972 -3.572 12.272 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.674 -2.153 11.459 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.434 -1.935 12.717 1.00 0.00 H new ATOM 1972 N ASP A 120 -7.222 2.240 13.429 1.00 0.00 N ATOM 1973 CA ASP A 120 -7.152 3.442 12.607 1.00 0.00 C ATOM 1974 C ASP A 120 -5.730 3.988 12.608 1.00 0.00 C ATOM 1975 O ASP A 120 -5.047 3.943 13.628 1.00 0.00 O ATOM 1976 CB ASP A 120 -8.122 4.503 13.126 1.00 0.00 C ATOM 1977 CG ASP A 120 -9.496 4.392 12.493 1.00 0.00 C ATOM 1978 OD1 ASP A 120 -9.964 3.252 12.288 1.00 0.00 O ATOM 1979 OD2 ASP A 120 -10.103 5.444 12.203 1.00 0.00 O ATOM 0 H ASP A 120 -6.840 2.355 14.368 1.00 0.00 H new ATOM 0 HA ASP A 120 -7.435 3.184 11.586 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -8.215 4.408 14.208 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -7.713 5.493 12.927 1.00 0.00 H new ATOM 1984 N GLY A 121 -5.279 4.494 11.466 1.00 0.00 N ATOM 1985 CA GLY A 121 -3.931 5.022 11.395 1.00 0.00 C ATOM 1986 C GLY A 121 -3.752 6.080 10.327 1.00 0.00 C ATOM 1987 O GLY A 121 -4.616 6.934 10.136 1.00 0.00 O ATOM 0 H GLY A 121 -5.814 4.548 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -3.664 5.446 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -3.238 4.203 11.203 1.00 0.00 H new ATOM 1991 N MET A 122 -2.615 6.028 9.639 1.00 0.00 N ATOM 1992 CA MET A 122 -2.310 6.997 8.594 1.00 0.00 C ATOM 1993 C MET A 122 -1.660 6.327 7.387 1.00 0.00 C ATOM 1994 O MET A 122 -0.894 5.375 7.527 1.00 0.00 O ATOM 1995 CB MET A 122 -1.388 8.087 9.148 1.00 0.00 C ATOM 1996 CG MET A 122 -0.956 9.113 8.112 1.00 0.00 C ATOM 1997 SD MET A 122 -0.845 10.780 8.788 1.00 0.00 S ATOM 1998 CE MET A 122 -2.544 11.066 9.277 1.00 0.00 C ATOM 0 H MET A 122 -1.891 5.325 9.787 1.00 0.00 H new ATOM 0 HA MET A 122 -3.247 7.446 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 122 -1.898 8.601 9.963 1.00 0.00 H new ATOM 0 HB3 MET A 122 -0.500 7.618 9.572 1.00 0.00 H new ATOM 0 HG2 MET A 122 0.013 8.826 7.704 1.00 0.00 H new ATOM 0 HG3 MET A 122 -1.665 9.108 7.284 1.00 0.00 H new ATOM 0 HE1 MET A 122 -2.567 11.494 10.279 1.00 0.00 H new ATOM 0 HE2 MET A 122 -3.013 11.757 8.577 1.00 0.00 H new ATOM 0 HE3 MET A 122 -3.088 10.121 9.273 1.00 0.00 H new ATOM 2008 N GLY A 123 -1.971 6.841 6.201 1.00 0.00 N ATOM 2009 CA GLY A 123 -1.410 6.295 4.978 1.00 0.00 C ATOM 2010 C GLY A 123 -0.810 7.373 4.099 1.00 0.00 C ATOM 2011 O GLY A 123 -0.824 8.550 4.457 1.00 0.00 O ATOM 0 H GLY A 123 -2.604 7.629 6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.643 5.561 5.227 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -2.188 5.768 4.426 1.00 0.00 H new ATOM 2015 N CYS A 124 -0.277 6.977 2.948 1.00 0.00 N ATOM 2016 CA CYS A 124 0.330 7.934 2.029 1.00 0.00 C ATOM 2017 C CYS A 124 0.760 7.269 0.724 1.00 0.00 C ATOM 2018 O CYS A 124 1.113 6.090 0.702 1.00 0.00 O ATOM 2019 CB CYS A 124 1.538 8.599 2.691 1.00 0.00 C ATOM 2020 SG CYS A 124 2.921 7.476 3.008 1.00 0.00 S ATOM 0 H CYS A 124 -0.253 6.008 2.631 1.00 0.00 H new ATOM 0 HA CYS A 124 -0.421 8.687 1.791 1.00 0.00 H new ATOM 0 HB2 CYS A 124 1.884 9.413 2.055 1.00 0.00 H new ATOM 0 HB3 CYS A 124 1.222 9.044 3.635 1.00 0.00 H new ATOM 0 HG CYS A 124 3.894 8.133 3.567 1.00 0.00 H new ATOM 2026 N LEU A 125 0.743 8.043 -0.359 1.00 0.00 N ATOM 2027 CA LEU A 125 1.151 7.538 -1.667 1.00 0.00 C ATOM 2028 C LEU A 125 2.561 8.025 -1.998 1.00 0.00 C ATOM 2029 O LEU A 125 2.969 9.101 -1.566 1.00 0.00 O ATOM 2030 CB LEU A 125 0.162 7.982 -2.751 1.00 0.00 C ATOM 2031 CG LEU A 125 -1.102 7.128 -2.870 1.00 0.00 C ATOM 2032 CD1 LEU A 125 -2.040 7.702 -3.923 1.00 0.00 C ATOM 2033 CD2 LEU A 125 -0.743 5.689 -3.203 1.00 0.00 C ATOM 0 H LEU A 125 0.452 9.020 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 125 1.153 6.448 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -0.133 9.012 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 125 0.676 7.978 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 125 -1.617 7.141 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.933 7.081 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.325 8.716 -3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -1.535 7.721 -4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -1.654 5.096 -3.284 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.205 5.658 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -0.112 5.279 -2.414 1.00 0.00 H new ATOM 2045 N GLU A 126 3.308 7.226 -2.753 1.00 0.00 N ATOM 2046 CA GLU A 126 4.674 7.585 -3.118 1.00 0.00 C ATOM 2047 C GLU A 126 5.076 6.968 -4.454 1.00 0.00 C ATOM 2048 O GLU A 126 5.139 5.746 -4.589 1.00 0.00 O ATOM 2049 CB GLU A 126 5.648 7.143 -2.023 1.00 0.00 C ATOM 2050 CG GLU A 126 6.221 8.299 -1.219 1.00 0.00 C ATOM 2051 CD GLU A 126 7.725 8.204 -1.049 1.00 0.00 C ATOM 2052 OE1 GLU A 126 8.173 7.586 -0.062 1.00 0.00 O ATOM 2053 OE2 GLU A 126 8.454 8.749 -1.904 1.00 0.00 O ATOM 0 H GLU A 126 2.992 6.329 -3.123 1.00 0.00 H new ATOM 0 HA GLU A 126 4.716 8.669 -3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 126 5.136 6.459 -1.346 1.00 0.00 H new ATOM 0 HB3 GLU A 126 6.467 6.587 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 126 5.974 9.238 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 126 5.749 8.322 -0.237 1.00 0.00 H new ATOM 2060 N PHE A 127 5.356 7.818 -5.432 1.00 0.00 N ATOM 2061 CA PHE A 127 5.759 7.384 -6.746 1.00 0.00 C ATOM 2062 C PHE A 127 6.838 6.308 -6.707 1.00 0.00 C ATOM 2063 O PHE A 127 7.534 6.137 -5.706 1.00 0.00 O ATOM 2064 CB PHE A 127 6.289 8.586 -7.504 1.00 0.00 C ATOM 2065 CG PHE A 127 6.435 8.328 -8.952 1.00 0.00 C ATOM 2066 CD1 PHE A 127 7.605 7.810 -9.458 1.00 0.00 C ATOM 2067 CD2 PHE A 127 5.392 8.597 -9.797 1.00 0.00 C ATOM 2068 CE1 PHE A 127 7.736 7.560 -10.806 1.00 0.00 C ATOM 2069 CE2 PHE A 127 5.506 8.353 -11.154 1.00 0.00 C ATOM 2070 CZ PHE A 127 6.685 7.831 -11.660 1.00 0.00 C ATOM 0 H PHE A 127 5.307 8.831 -5.327 1.00 0.00 H new ATOM 0 HA PHE A 127 4.888 6.950 -7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 127 5.615 9.430 -7.356 1.00 0.00 H new ATOM 0 HB3 PHE A 127 7.256 8.873 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 127 8.428 7.598 -8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 127 4.473 9.003 -9.401 1.00 0.00 H new ATOM 0 HE1 PHE A 127 8.658 7.153 -11.194 1.00 0.00 H new ATOM 0 HE2 PHE A 127 4.680 8.568 -11.815 1.00 0.00 H new ATOM 0 HZ PHE A 127 6.782 7.637 -12.718 1.00 0.00 H new ATOM 2080 N ASP A 128 6.989 5.614 -7.831 1.00 0.00 N ATOM 2081 CA ASP A 128 8.001 4.580 -7.971 1.00 0.00 C ATOM 2082 C ASP A 128 8.749 4.779 -9.285 1.00 0.00 C ATOM 2083 O ASP A 128 8.253 4.422 -10.352 1.00 0.00 O ATOM 2084 CB ASP A 128 7.361 3.190 -7.940 1.00 0.00 C ATOM 2085 CG ASP A 128 8.316 2.123 -7.441 1.00 0.00 C ATOM 2086 OD1 ASP A 128 9.338 2.484 -6.822 1.00 0.00 O ATOM 2087 OD2 ASP A 128 8.042 0.926 -7.670 1.00 0.00 O ATOM 0 H ASP A 128 6.416 5.753 -8.663 1.00 0.00 H new ATOM 0 HA ASP A 128 8.699 4.654 -7.137 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.480 3.213 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.020 2.928 -8.941 1.00 0.00 H new ATOM 2092 N GLU A 129 9.940 5.360 -9.200 1.00 0.00 N ATOM 2093 CA GLU A 129 10.750 5.615 -10.386 1.00 0.00 C ATOM 2094 C GLU A 129 11.672 4.436 -10.694 1.00 0.00 C ATOM 2095 O GLU A 129 12.401 4.452 -11.687 1.00 0.00 O ATOM 2096 CB GLU A 129 11.574 6.893 -10.198 1.00 0.00 C ATOM 2097 CG GLU A 129 10.775 8.177 -10.388 1.00 0.00 C ATOM 2098 CD GLU A 129 11.650 9.414 -10.353 1.00 0.00 C ATOM 2099 OE1 GLU A 129 12.201 9.782 -11.412 1.00 0.00 O ATOM 2100 OE2 GLU A 129 11.785 10.015 -9.266 1.00 0.00 O ATOM 0 H GLU A 129 10.366 5.663 -8.324 1.00 0.00 H new ATOM 0 HA GLU A 129 10.075 5.744 -11.232 1.00 0.00 H new ATOM 0 HB2 GLU A 129 12.007 6.891 -9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 129 12.404 6.885 -10.904 1.00 0.00 H new ATOM 0 HG2 GLU A 129 10.248 8.136 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 129 10.018 8.249 -9.607 1.00 0.00 H new